N-(3-mercapto-3-methylbutyryl)-beta-alanine
TL;DR: N-(3-mercapto-3-methylbutyryl)-beta-alanine (CAS 131068-72-9) is a chemical compound with molecular formula C8H15NO3S and molecular weight 205.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid
Also Known As: 3-Tmba, N- -beta-alanine, N-(3-Mercapto-3-methylbutyryl)-beta-alanine, 3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid, N-(3-Mercapto-3-methyl-1-oxobutyl)-beta-alanine
| Molecular Formula | C8H15NO3S |
|---|---|
| Molecular Weight | 205.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.07727 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 131068-72-9 |
|---|---|
| SMILES | CC(C)(CC(=O)NCCC(=O)O)S |
| InChIKey | QMPIELCZGATVNY-UHFFFAOYSA-N |
Product Overview
N-(3-mercapto-3-methylbutyryl)-beta-alanine (CAS 131068-72-9), with molecular formula C8H15NO3S and molecular weight 205.08 g/mol. IUPAC: 3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid.
Chemical Property Profile of N-(3-mercapto-3-methylbutyryl)-beta-alanine
Property Insights of N-(3-mercapto-3-methylbutyryl)-beta-alanine
The XLogP value of -0.1 indicates that N-(3-mercapto-3-methylbutyryl)-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-mercapto-3-methylbutyryl)-beta-alanine. Following Lipinski's Rule of Five, N-(3-mercapto-3-methylbutyryl)-beta-alanine has 3 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 N-(3-mercapto-3-methylbutyryl)-beta-alanine?
The CAS number of N-(3-mercapto-3-methylbutyryl)-beta-alanine is 131068-72-9.
What is the molecular formula of N-(3-mercapto-3-methylbutyryl)-beta-alanine?
The molecular formula of N-(3-mercapto-3-methylbutyryl)-beta-alanine is C8H15NO3S.
What is the molecular weight of N-(3-mercapto-3-methylbutyryl)-beta-alanine?
The molecular weight of N-(3-mercapto-3-methylbutyryl)-beta-alanine is 205.08 g/mol.
Where can I buy N-(3-mercapto-3-methylbutyryl)-beta-alanine?
You can request a quote for N-(3-mercapto-3-methylbutyryl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-mercapto-3-methylbutyryl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-mercapto-3-methylbutyryl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.