![2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid structure](/static/products/7937/793727-60-3.webp)
2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid
TL;DR: 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 793727-60-3) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoic acid
Also Known As: 2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid, 2-([2-(Isopropylamino)-2-oxoethyl]thio)benzoic acid, 2-{[2-(isopropylamino)-2-oxoethyl]thio}benzoic acid, 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoic acid, 2-(propan-2-ylcarbamoylmethylsulfanyl)benzoic Acid
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 2.0015 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 417.9667 |
Chemical Identifiers
| CAS Number | 793727-60-3 |
|---|---|
| SMILES | CC(C)NC(=O)CSC1=CC=CC=C1C(=O)O |
Product Overview
2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 793727-60-3), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid
Property Insights of 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid
The XLogP value of 2.0015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid has 2 hydrogen bond donor(s) and 3 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 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The CAS number of 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid is 793727-60-3.
What is the molecular formula of 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular formula of 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid is C12H15NO3S.
What is the molecular weight of 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular weight of 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid is 253.08 g/mol.
Where can I buy 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
You can request a quote for 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.