![2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid structure](/static/products/7214/721406-60-6.webp)
2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid
TL;DR: 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 721406-60-6) is a chemical compound with molecular formula C19H23NO3S and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-({[(adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid, 2-(Adamantan-1-ylcarbamoylmethylsulfanyl)-benzoic acid, 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoic acid, 2-({[(adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoicacid, 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoic acid
| Molecular Formula | C19H23NO3S |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 3.5619 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.13986 |
| Heavy Atoms | 24 |
| Complexity | 637.04645 |
Chemical Identifiers
| CAS Number | 721406-60-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)O |
Product Overview
2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 721406-60-6), with molecular formula C19H23NO3S and molecular weight 345.14 g/mol. IUPAC: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid
Property Insights of 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid
The XLogP value of 3.5619 indicates that 2-({[(Adamantan-1-yl)carbamoyl]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-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({[(Adamantan-1-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-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The CAS number of 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid is 721406-60-6.
What is the molecular formula of 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular formula of 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid is C19H23NO3S.
What is the molecular weight of 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular weight of 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid is 345.14 g/mol.
Where can I buy 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
You can request a quote for 2-({[(Adamantan-1-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-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(Adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.