Name: Name:BENZOIC ACID, 3-FLUORO-4-[[(2R)-HYDROXY(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)ACETYL]AMINO]-
Brand: AABLOCKS
SKU: AA00ASUO
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00ASUO

Chemical Name: BENZOIC ACID, 3-FLUORO-4-[[(2R)-HYDROXY(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)ACETYL]AMINO]-

CAS Number: 185629-22-5

Molecular Formula: C23H26FNO4

Molecular Weight: 399.4552

MDL Number: MFCD18711373

SMILES: OC(c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)Nc1ccc(cc1F)C(=O)O

Properties

Complexity: 634

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 29

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 4.9

Literature fold

Title: Retinoic acid receptor gamma-induced misregulation of chondrogenesis in the murine limb bud in vitro.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20081101

Title: Topical vitamin D3 and low-calcemic analogs induce thymic stromal lymphopoietin in mouse keratinocytes and trigger an atopic dermatitis.

Journal: Proceedings of the National Academy of Sciences of the United States of America20060801

185629-22-5 | BENZOIC ACID, 3-FLUORO-4-[[(2R)-HYDROXY(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)ACETYL]AMINO]-