2-Mercapto-N-propylcarbamoylmethyl-benzamide
TL;DR: 2-Mercapto-N-propylcarbamoylmethyl-benzamide (CAS 824938-56-9) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-oxo-2-(propylamino)ethyl]-2-sulfanylbenzamide
Also Known As: 2-Mercapto-N-propylcarbamoylmethyl-benzamide, N-[2-oxo-2-(propylamino)ethyl]-2-sulfanylbenzamide, Benzamide, 2-mercapto-N-[2-oxo-2-(propylamino)ethyl]-
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 824938-56-9 |
|---|---|
| SMILES | CCCNC(=O)CNC(=O)C1=CC=CC=C1S |
| InChIKey | ANVHHCOBEZIPLL-UHFFFAOYSA-N |
Product Overview
2-Mercapto-N-propylcarbamoylmethyl-benzamide (CAS 824938-56-9), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: N-[2-oxo-2-(propylamino)ethyl]-2-sulfanylbenzamide.
Chemical Property Profile of 2-Mercapto-N-propylcarbamoylmethyl-benzamide
Property Insights of 2-Mercapto-N-propylcarbamoylmethyl-benzamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-N-propylcarbamoylmethyl-benzamide. With a topological polar surface area (TPSA) of 59.2 Ų, 2-Mercapto-N-propylcarbamoylmethyl-benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-N-propylcarbamoylmethyl-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 2-Mercapto-N-propylcarbamoylmethyl-benzamide?
The CAS number of 2-Mercapto-N-propylcarbamoylmethyl-benzamide is 824938-56-9.
What is the molecular formula of 2-Mercapto-N-propylcarbamoylmethyl-benzamide?
The molecular formula of 2-Mercapto-N-propylcarbamoylmethyl-benzamide is C12H16N2O2S.
What is the molecular weight of 2-Mercapto-N-propylcarbamoylmethyl-benzamide?
The molecular weight of 2-Mercapto-N-propylcarbamoylmethyl-benzamide is 252.09 g/mol.
Where can I buy 2-Mercapto-N-propylcarbamoylmethyl-benzamide?
You can request a quote for 2-Mercapto-N-propylcarbamoylmethyl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-N-propylcarbamoylmethyl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-N-propylcarbamoylmethyl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.