Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate
TL;DR: Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate (CAS 5208-55-9) is a chemical compound with molecular formula C9H16N2O4S and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate
Also Known As: Methyl N-acetyl-beta-alanylcysteinate, methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate
| Molecular Formula | C9H16N2O4S |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.08308 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 5208-55-9 |
|---|---|
| SMILES | CC(=O)NCCC(=O)NC(CS)C(=O)OC |
| InChIKey | GMVHFRRFLRWLBY-UHFFFAOYSA-N |
Product Overview
Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate (CAS 5208-55-9), with molecular formula C9H16N2O4S and molecular weight 248.08 g/mol. IUPAC: methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate.
Chemical Property Profile of Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate
Property Insights of Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate
The XLogP value of -1.0 indicates that Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate has 3 hydrogen bond donor(s) and 5 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 Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate?
The CAS number of Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate is 5208-55-9.
What is the molecular formula of Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate?
The molecular formula of Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate is C9H16N2O4S.
What is the molecular weight of Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate?
The molecular weight of Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate is 248.08 g/mol.
Where can I buy Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate?
You can request a quote for Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.