Catalog No.:AA00A0K4

1416324-85-0 | 5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester

Name: Name:5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester
Brand: AABLOCKS
SKU: AA00A0K4
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1mg

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00A0K4

Chemical Name:

5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester

CAS Number:

1416324-85-0

Molecular Formula:

C19H22O7

Molecular Weight:

362.3738

MDL Number:

MFCD26406409

SMILES:

CCCCCCOC(=O)c1cc(O)c(=O)c2c(c1)cc(OC)c(c2O)O

Properties

Computed Properties

Complexity:

763

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.7

Downstream Synthesis Route

934-00-9

1087-26-9

1416324-85-0

[1]Cheng,Kui;Wang,Xiaohui;Zhang,Shuting;Yin,Hang[AngewandteChemie-InternationalEdition,2012,vol.51,#49,p.12246-12249][Angew.Chem.,2012,vol.124,#49,p.12412-12415,4]

111-27-3

1416324-85-0

[1]Cheng,Kui;Wang,Xiaohui;Zhang,Shuting;Yin,Hang[AngewandteChemie-InternationalEdition,2012,vol.51,#49,p.12246-12249][Angew.Chem.,2012,vol.124,#49,p.12412-12415,4]

Literature

Title: Cheng K, et al. Discovery of small-molecule inhibitors of the TLR1/TLR2 complex. Angew Chem Int Ed Engl. 2012 Dec 3;51(49):12246-9.

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SDS