3-Amino-N-(2-mercaptoethyl)propanamide
TL;DR: 3-Amino-N-(2-mercaptoethyl)propanamide (CAS 539-83-3) is a chemical compound with molecular formula C5H12N2OS and molecular weight 148.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(2-sulfanylethyl)propanamide
Also Known As: Aletheine, b-aletheine, beta-aletheine, coenzyme A, beta-Alanylaminoethanethiol
| Molecular Formula | C5H12N2OS |
|---|---|
| Molecular Weight | 148.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.06703 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 539-83-3 |
|---|---|
| SMILES | C(CN)C(=O)NCCS |
| InChIKey | NMTZPYLSXWGDPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-N-(2-mercaptoethyl)propanamide (CAS 539-83-3), with molecular formula C5H12N2OS and molecular weight 148.07 g/mol. IUPAC: 3-amino-N-(2-sulfanylethyl)propanamide.
Chemical Property Profile of 3-Amino-N-(2-mercaptoethyl)propanamide
Property Insights of 3-Amino-N-(2-mercaptoethyl)propanamide
The XLogP value of -1.2 indicates that 3-Amino-N-(2-mercaptoethyl)propanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.1 Ų, 3-Amino-N-(2-mercaptoethyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-N-(2-mercaptoethyl)propanamide 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 3-Amino-N-(2-mercaptoethyl)propanamide?
The CAS number of 3-Amino-N-(2-mercaptoethyl)propanamide is 539-83-3.
What is the molecular formula of 3-Amino-N-(2-mercaptoethyl)propanamide?
The molecular formula of 3-Amino-N-(2-mercaptoethyl)propanamide is C5H12N2OS.
What is the molecular weight of 3-Amino-N-(2-mercaptoethyl)propanamide?
The molecular weight of 3-Amino-N-(2-mercaptoethyl)propanamide is 148.07 g/mol.
Where can I buy 3-Amino-N-(2-mercaptoethyl)propanamide?
You can request a quote for 3-Amino-N-(2-mercaptoethyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-N-(2-mercaptoethyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-N-(2-mercaptoethyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.