2-Benzyl-3-mercaptopropanoyl-alanylglycinamide
TL;DR: 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide (CAS 71431-51-1) is a chemical compound with molecular formula C15H21N3O3S and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-benzyl-3-sulfanylpropanamide
Also Known As: BMPAG, 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide, (2-benzyl-3-mercaptopropanoyl)-l-alanylglycinamide, Glycinamide, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-L-alanyl-, (BAG)2-Benzyl-N-[1-(carbamoylmethyl-carbamoyl)-ethyl]-3-mercapto-propionamide
| Molecular Formula | C15H21N3O3S |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | -0.1187 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.13037 |
| Heavy Atoms | 22 |
| Complexity | 522.0238 |
Chemical Identifiers
| CAS Number | 71431-51-1 |
|---|---|
| SMILES | C[C@@H](C(=O)NCC(=O)N)NC(=O)C(CC1=CC=CC=C1)CS |
Product Overview
2-Benzyl-3-mercaptopropanoyl-alanylglycinamide (CAS 71431-51-1), with molecular formula C15H21N3O3S and molecular weight 323.13 g/mol. IUPAC: N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-benzyl-3-sulfanylpropanamide.
Chemical Property Profile of 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide
Property Insights of 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide
The XLogP value of -0.1187 indicates that 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide. Following Lipinski's Rule of Five, 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide has 4 hydrogen bond donor(s) and 4 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-Benzyl-3-mercaptopropanoyl-alanylglycinamide?
The CAS number of 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide is 71431-51-1.
What is the molecular formula of 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide?
The molecular formula of 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide is C15H21N3O3S.
What is the molecular weight of 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide?
The molecular weight of 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide is 323.13 g/mol.
Where can I buy 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide?
You can request a quote for 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-3-mercaptopropanoyl-alanylglycinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.