![2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid structure](/static/products/7474/7474-77-3.webp)
2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid
TL;DR: 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid (CAS 7474-77-3) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid
Also Known As: N-(2-Acetamido-3-methylbut-2-enoyl)-S-benzylcysteine, 2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid, L-cysteine,n-(n-acetyl-2,3-didehydrovalyl)-s-(phenylmethyl)-(9ci)
| Molecular Formula | C17H22N2O4S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.13004 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 7474-77-3 |
|---|---|
| SMILES | CC(=C(C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)C)C |
| InChIKey | KJFCXOHNGMNKNU-UHFFFAOYSA-N |
Product Overview
2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid (CAS 7474-77-3), with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol. IUPAC: 2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid.
Chemical Property Profile of 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid
Property Insights of 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid. Following Lipinski's Rule of Five, 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid 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 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid?
The CAS number of 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid is 7474-77-3.
What is the molecular formula of 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid?
The molecular formula of 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid is C17H22N2O4S.
What is the molecular weight of 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid?
The molecular weight of 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid is 350.13 g/mol.
Where can I buy 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid?
You can request a quote for 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.