2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid
TL;DR: 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid (CAS 6958-80-1) is a chemical compound with molecular formula C7H13NO4S and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(3-methoxy-3-oxopropyl)sulfanylpropanoic acid
Also Known As: s-(3-methoxy-3-oxopropyl)cysteine, 2-amino-3-(3-methoxy-3-oxopropyl)sulfanylpropanoic acid, 2-amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid
| Molecular Formula | C7H13NO4S |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.05653 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 6958-80-1 |
|---|---|
| SMILES | COC(=O)CCSCC(C(=O)O)N |
| InChIKey | LUBFQITZNDBVCM-UHFFFAOYSA-N |
Product Overview
2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid (CAS 6958-80-1), with molecular formula C7H13NO4S and molecular weight 207.06 g/mol. IUPAC: 2-amino-3-(3-methoxy-3-oxopropyl)sulfanylpropanoic acid.
Chemical Property Profile of 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid
Property Insights of 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid
The XLogP value of -2.9 indicates that 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid has 2 hydrogen bond donor(s) and 6 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 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid?
The CAS number of 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid is 6958-80-1.
What is the molecular formula of 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid?
The molecular formula of 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid is C7H13NO4S.
What is the molecular weight of 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid?
The molecular weight of 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid is 207.06 g/mol.
Where can I buy 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid?
You can request a quote for 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(2-methoxycarbonylethylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.