![4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid structure](/static/products/1020/102091-40-7.webp)
4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid
TL;DR: 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid (CAS 102091-40-7) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-carbamoylsulfanylacetyl)amino]benzoic acid
Also Known As: 4-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, 4-(2-(carbamoylthio)acetamido)benzoic acid, 4-[(2-carbamoylsulfanylacetyl)amino]benzoic acid, 4-[2-(Carbamoylsulfanyl)acetamido]benzoic acid, 4-a[[2-a[(Aminocarbonyl)athio]aacetyl]aamino]a-benzoic acid
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 102091-40-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)CSC(=O)N |
| InChIKey | FOLFKEUJQWZSRP-UHFFFAOYSA-N |
Product Overview
4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid (CAS 102091-40-7), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: 4-[(2-carbamoylsulfanylacetyl)amino]benzoic acid.
Chemical Property Profile of 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid
Property Insights of 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid has 3 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-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid?
The CAS number of 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid is 102091-40-7.
What is the molecular formula of 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid?
The molecular formula of 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid is C10H10N2O4S.
What is the molecular weight of 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid?
The molecular weight of 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid is 254.04 g/mol.
Where can I buy 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid?
You can request a quote for 4-[(2-Carbamoylsulfanylacetyl)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-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Carbamoylsulfanylacetyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.