2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid
TL;DR: 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid (CAS 87321-45-7) is a chemical compound with molecular formula C9H14N2O3S2 and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid
Also Known As: N-Acetyl-S-(N-allylthiocarbamoyl)-L-cysteine, N-Acetyl-S-(allylcarbamothioyl)cysteine, 2-acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid, J2.453.978D, N-Acetyl-L-cysteine 2-propenylcarbamodithioate (ester)
| Molecular Formula | C9H14N2O3S2 |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 0.3694 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.0446 |
| Heavy Atoms | 16 |
| Complexity | 294.4787 |
Chemical Identifiers
| CAS Number | 87321-45-7 |
|---|---|
| SMILES | CC(=O)NC(CSC(=S)NCC=C)C(=O)O |
Product Overview
2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid (CAS 87321-45-7), with molecular formula C9H14N2O3S2 and molecular weight 262.04 g/mol. IUPAC: 2-acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid.
Chemical Property Profile of 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid
Property Insights of 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid
The XLogP value of 0.3694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid 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 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid?
The CAS number of 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid is 87321-45-7.
What is the molecular formula of 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid?
The molecular formula of 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid is C9H14N2O3S2.
What is the molecular weight of 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid?
The molecular weight of 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid is 262.04 g/mol.
Where can I buy 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid?
You can request a quote for 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)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-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.