![6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid structure](/static/products/3534/353475-90-8.webp)
6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
TL;DR: 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid (CAS 353475-90-8) is a chemical compound with molecular formula C14H13F2NO3 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid, 6-[(3,4-DIFLUOROANILINO)CARBONYL]-3-CYCLOHEXENE-1-CARBOXYLIC ACID, 6-{[(3,4-difluorophenyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid, 6-[N-(3,4-difluorophenyl)carbamoyl]cyclohex-3-enecarboxylic acid
| Molecular Formula | C14H13F2NO3 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 2.5703 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08636 |
| Heavy Atoms | 20 |
| Complexity | 571.5375 |
Chemical Identifiers
| CAS Number | 353475-90-8 |
|---|---|
| SMILES | C1C=CCC(C1C(=O)NC2=CC(=C(C=C2)F)F)C(=O)O |
Product Overview
6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid (CAS 353475-90-8), with molecular formula C14H13F2NO3 and molecular weight 281.09 g/mol. IUPAC: 6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
Property Insights of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
The XLogP value of 2.5703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid. Following Lipinski's Rule of Five, 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid?
The CAS number of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid is 353475-90-8.
What is the molecular formula of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid?
The molecular formula of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid is C14H13F2NO3.
What is the molecular weight of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid?
The molecular weight of 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid is 281.09 g/mol.
Where can I buy 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid?
You can request a quote for 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.