N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester
TL;DR: N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester (CAS 63439-38-3) is a chemical compound with molecular formula C8H11N3O5S and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-sulfanylpropanoic acid
Also Known As: N(2)SH, L-Cysteine, N-(2-diazo-3-ethoxy-1,3-dioxopropyl)-, N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester, (2R)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-sulfanylpropanoic acid, N-(1-Carboxy-2-sulfanylethyl)-2-diazonio-3-ethoxy-1-hydroxy-3-oxoprop-1-en-1-aminide
| Molecular Formula | C8H11N3O5S |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.04193 |
| Heavy Atoms | 17 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 63439-38-3 |
|---|---|
| SMILES | CCOC(=O)C(=[N+]=[N-])C(=O)N[C@@H](CS)C(=O)O |
| InChIKey | BMUFPFYDAOVRHT-BYPYZUCNSA-N |
Product Overview
N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester (CAS 63439-38-3), with molecular formula C8H11N3O5S and molecular weight 261.04 g/mol. IUPAC: (2R)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-sulfanylpropanoic acid.
Chemical Property Profile of N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester
Property Insights of N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester. Following Lipinski's Rule of Five, N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester has 3 hydrogen bond donor(s) and 7 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-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester?
The CAS number of N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester is 63439-38-3.
What is the molecular formula of N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester?
The molecular formula of N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester is C8H11N3O5S.
What is the molecular weight of N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester?
The molecular weight of N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester is 261.04 g/mol.
Where can I buy N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester?
You can request a quote for N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Carboxy-2-thiolethyl)diazomalonamic ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.