N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
TL;DR: N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide (CAS 52811-71-9) 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-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
Also Known As: Bz-Met-NH2, N-Benzoyl-L-methionine amide, A-benzoyl-DL-methioninamide, N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide, NALPHA-BENZOYL-DL-METHIONINAMIDE
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 52811-71-9 |
|---|---|
| SMILES | CSCCC(C(=O)N)NC(=O)C1=CC=CC=C1 |
| InChIKey | NBLKELFQDXBKFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide (CAS 52811-71-9), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide.
Chemical Property Profile of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
Property Insights of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide. Following Lipinski's Rule of Five, N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)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-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide?
The CAS number of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide is 52811-71-9.
What is the molecular formula of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide?
The molecular formula of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide is C12H16N2O2S.
What is the molecular weight of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide?
The molecular weight of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide is 252.09 g/mol.
Where can I buy N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide?
You can request a quote for N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.