N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide
TL;DR: N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide (CAS 31657-20-2) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide
Also Known As: N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide, N-[2-amino-1-(benzylsulfanyl)-2-oxoethyl]benzamide, BENZAMIDE,N-[2-AMINO-2-OXO-1-[(PHENYLMETHYL)THIO]ETHYL]-
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 31657-20-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(C(=O)N)NC(=O)C2=CC=CC=C2 |
| InChIKey | QDQWKLNQYZGFCX-UHFFFAOYSA-N |
Product Overview
N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide (CAS 31657-20-2), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide.
Chemical Property Profile of N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide
Property Insights of N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide. Following Lipinski's Rule of Five, N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide 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 N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide?
The CAS number of N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide is 31657-20-2.
What is the molecular formula of N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide?
The molecular formula of N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide is C16H16N2O2S.
What is the molecular weight of N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide?
The molecular weight of N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide is 300.09 g/mol.
Where can I buy N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide?
You can request a quote for N-(2-amino-1-benzylsulfanyl-2-oxoethyl)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-amino-1-benzylsulfanyl-2-oxoethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.