![2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid structure](/static/products/7214/721406-50-4.webp)
2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid
TL;DR: 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid (CAS 721406-50-4) 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-(cycloheptylamino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-{[(cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid, 2-Cycloheptylcarbamoylmethylsulfanyl-benzoic acid, 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylbenzoic acid, 2-(cycloheptylcarbamoylmethylsulfanyl)benzoic Acid, 2-{[(cycloheptylcarbamoyl)methyl]sulfanyl}benzoicacid
| Molecular Formula | C16H21NO3S |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.3159 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.1242 |
| Heavy Atoms | 21 |
| Complexity | 496.05038 |
Chemical Identifiers
| CAS Number | 721406-50-4 |
|---|---|
| SMILES | C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid (CAS 721406-50-4), with molecular formula C16H21NO3S and molecular weight 307.12 g/mol. IUPAC: 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid
Property Insights of 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid
The XLogP value of 3.3159 indicates that 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(Cycloheptylcarbamoyl)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-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid?
The CAS number of 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid is 721406-50-4.
What is the molecular formula of 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid is C16H21NO3S.
What is the molecular weight of 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid is 307.12 g/mol.
Where can I buy 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[(Cycloheptylcarbamoyl)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-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Cycloheptylcarbamoyl)methyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.