![2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid structure](/static/products/7214/721406-53-7.webp)
2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid
TL;DR: 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 721406-53-7) is a chemical compound with molecular formula C16H21NO3S and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-({[cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid, 2-[(Cyclohexyl-methyl-carbamoyl)-methylsulfanyl]-benzoic acid, 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid, 2-(([cyclohexyl(methyl)carbamoyl]methyl)sulfanyl)benzoic acid, 2-((cyclohexylmethyl carbamoyl)methylsulfanyl)benzoic acid
| Molecular Formula | C16H21NO3S |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.268 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.1242 |
| Heavy Atoms | 21 |
| Complexity | 511.99847 |
Chemical Identifiers
| CAS Number | 721406-53-7 |
|---|---|
| SMILES | CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 721406-53-7), with molecular formula C16H21NO3S and molecular weight 307.12 g/mol. IUPAC: 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid
Property Insights of 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid
The XLogP value of 3.268 indicates that 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid has 1 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-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The CAS number of 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid is 721406-53-7.
What is the molecular formula of 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular formula of 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid is C16H21NO3S.
What is the molecular weight of 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular weight of 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid is 307.12 g/mol.
Where can I buy 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid?
You can request a quote for 2-({[Cyclohexyl(methyl)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-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[Cyclohexyl(methyl)carbamoyl]methyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.