N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine
TL;DR: N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine (CAS 155895-89-9) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,3R)-3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid
Also Known As: Mixanpril active metabolite, RB 105, N-(2-(Mercaptomethyl)-3-phenylbutanoyl)-L-alanine, s21402, S-21402
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 1.9254 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 435.57703 |
Chemical Identifiers
| CAS Number | 155895-89-9 |
|---|---|
| SMILES | C[C@@H](C1=CC=CC=C1)[C@H](CS)C(=O)N[C@@H](C)C(=O)O |
Product Overview
N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine (CAS 155895-89-9), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: (2S)-2-[[(2S,3R)-3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid.
Chemical Property Profile of N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine
Property Insights of N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine
The XLogP value of 1.9254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine. Following Lipinski's Rule of Five, N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine 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-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine?
The CAS number of N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine is 155895-89-9.
What is the molecular formula of N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine?
The molecular formula of N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine is C14H19NO3S.
What is the molecular weight of N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine?
The molecular weight of N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine is 281.11 g/mol.
Where can I buy N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine?
You can request a quote for N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(Mercaptomethyl)-3-Phenylbutanoyl)-L-Alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.