![4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid structure](/static/products/6932/693234-26-3.webp)
4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid
TL;DR: 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid (CAS 693234-26-3) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzoic acid
Also Known As: CBKinase1_002455, CBKinase1_014855, KSC-11-277-7, AN-979/42125579, 4,5-dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 3.1328 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 733.2608 |
Chemical Identifiers
| CAS Number | 693234-26-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=CC=CC=C2)OC |
Product Overview
4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid (CAS 693234-26-3), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: 4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzoic acid.
Chemical Property Profile of 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid
Property Insights of 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid
The XLogP value of 3.1328 indicates that 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 5 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 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
The CAS number of 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid is 693234-26-3.
What is the molecular formula of 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
The molecular formula of 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid is C17H17NO5S.
What is the molecular weight of 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
The molecular weight of 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid is 347.08 g/mol.
Where can I buy 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
You can request a quote for 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.