3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid
TL;DR: 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid (CAS 6298-06-2) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic acid
Also Known As: S-Benzyl-N-(prop-2-enoyl)cysteine, 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.6752 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 419.50436 |
Chemical Identifiers
| CAS Number | 6298-06-2 |
|---|---|
| SMILES | C=CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O |
Product Overview
3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid (CAS 6298-06-2), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic acid.
Chemical Property Profile of 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid
Property Insights of 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid
The XLogP value of 1.6752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid. Following Lipinski's Rule of Five, 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid has 2 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-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid?
The CAS number of 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid is 6298-06-2.
What is the molecular formula of 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid?
The molecular formula of 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid is C13H15NO3S.
What is the molecular weight of 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid?
The molecular weight of 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid is 265.08 g/mol.
Where can I buy 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid?
You can request a quote for 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.