![2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid structure](/static/products/1005/1005106-53-5.webp)
2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid
TL;DR: 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 1005106-53-5) is a chemical compound with molecular formula C18H23NO3S and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-({[(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid, 2-[(1-Bicyclo[2.2.1]hept-2-yl-ethylcarbamoyl)-methylsulfanyl]-benzoic acid, 2-[2-(1-norbornan-2-ylethylamino)-2-oxo-ethyl]sulfanylbenzoic acid, 2-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid, 2-(([(1-(BICYCLO[2.2.1]HEPTAN-2-YL)ETHYL)CARBAMOYL]METHYL)SULFANYL)BENZOIC ACID
| Molecular Formula | C18H23NO3S |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 3.4178 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.13986 |
| Heavy Atoms | 23 |
| Complexity | 603.68445 |
Chemical Identifiers
| CAS Number | 1005106-53-5 |
|---|---|
| SMILES | CC(C1CC2CCC1C2)NC(=O)CSC3=CC=CC=C3C(=O)O |
Product Overview
2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 1005106-53-5), with molecular formula C18H23NO3S and molecular weight 333.14 g/mol. IUPAC: 2-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid
Property Insights of 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid
The XLogP value of 3.4178 indicates that 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)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-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)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-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The CAS number of 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid is 1005106-53-5.
What is the molecular formula of 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular formula of 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid is C18H23NO3S.
What is the molecular weight of 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular weight of 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid is 333.14 g/mol.
Where can I buy 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid?
You can request a quote for 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)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-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)carbamoyl]methyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.