methyl N,3-diphenylprop-2-enimidothioate
TL;DR: methyl N,3-diphenylprop-2-enimidothioate (CAS 64723-91-7) is a chemical compound with molecular formula C16H15NS and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,3-diphenylprop-2-enimidothioate
Also Known As: methyl N,3-diphenylprop-2-enimidothioate, methyl (E)-N,3-diphenylprop-2-enimidothioate
| Molecular Formula | C16H15NS |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.09251 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 64723-91-7 |
|---|---|
| SMILES | CSC(=NC1=CC=CC=C1)C=CC2=CC=CC=C2 |
| InChIKey | KGDXVHCSIVRCDZ-UHFFFAOYSA-N |
Product Overview
methyl N,3-diphenylprop-2-enimidothioate (CAS 64723-91-7), with molecular formula C16H15NS and molecular weight 253.09 g/mol. IUPAC: methyl N,3-diphenylprop-2-enimidothioate.
Chemical Property Profile of methyl N,3-diphenylprop-2-enimidothioate
Property Insights of methyl N,3-diphenylprop-2-enimidothioate
The XLogP value of 4.6 indicates that methyl N,3-diphenylprop-2-enimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.7 Ų, methyl N,3-diphenylprop-2-enimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N,3-diphenylprop-2-enimidothioate has 0 hydrogen bond donor(s) and 2 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 N,3-diphenylprop-2-enimidothioate?
The CAS number of methyl N,3-diphenylprop-2-enimidothioate is 64723-91-7.
What is the molecular formula of methyl N,3-diphenylprop-2-enimidothioate?
The molecular formula of methyl N,3-diphenylprop-2-enimidothioate is C16H15NS.
What is the molecular weight of methyl N,3-diphenylprop-2-enimidothioate?
The molecular weight of methyl N,3-diphenylprop-2-enimidothioate is 253.09 g/mol.
Where can I buy methyl N,3-diphenylprop-2-enimidothioate?
You can request a quote for methyl N,3-diphenylprop-2-enimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N,3-diphenylprop-2-enimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N,3-diphenylprop-2-enimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.