methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate
TL;DR: methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate (CAS 81629-68-7) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate
Also Known As: methyl 2-acetamido-3-phenylsulfanylprop-2-enoate, methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 1.9292 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 428.6367 |
Chemical Identifiers
| CAS Number | 81629-68-7 |
|---|---|
| SMILES | CC(=O)N/C(=C/SC1=CC=CC=C1)/C(=O)OC |
Product Overview
methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate (CAS 81629-68-7), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate.
Chemical Property Profile of methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate
Property Insights of methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate
The XLogP value of 1.9292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate has 1 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 methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate?
The CAS number of methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate is 81629-68-7.
What is the molecular formula of methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate?
The molecular formula of methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate is C12H13NO3S.
What is the molecular weight of methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate?
The molecular weight of methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate is 251.06 g/mol.
Where can I buy methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate?
You can request a quote for methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-2-acetamido-3-phenylsulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.