N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide
TL;DR: N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide (CAS 824938-48-9) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-amino-3-oxopropyl)-3-methyl-2-sulfanylbenzamide
Also Known As: N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide, N-(3-amino-3-oxopropyl)-3-methyl-2-sulfanylbenzamide, Benzamide, N-(3-amino-3-oxopropyl)-2-mercapto-3-methyl-
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 824938-48-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)NCCC(=O)N)S |
| InChIKey | LVBKSGGNLFHGRK-UHFFFAOYSA-N |
Product Overview
N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide (CAS 824938-48-9), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: N-(3-amino-3-oxopropyl)-3-methyl-2-sulfanylbenzamide.
Chemical Property Profile of N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide
Property Insights of N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide. Following Lipinski's Rule of Five, N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide has 3 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 N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide?
The CAS number of N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide is 824938-48-9.
What is the molecular formula of N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide?
The molecular formula of N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide is C11H14N2O2S.
What is the molecular weight of N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide?
The molecular weight of N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide is 238.08 g/mol.
Where can I buy N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide?
You can request a quote for N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Carbamoyl-ethyl)-2-mercapto-3-methyl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.