O-methyl cinnamoylthiocarbamate
TL;DR: O-methyl cinnamoylthiocarbamate (CAS 71403-12-8) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-[(E)-3-phenylprop-2-enoyl]carbamothioate
Also Known As: O-methyl cinnamoylthiocarbamate, IDI1_016097, (3t-phenyl-acryloyl)-thiocarbamic acid O-methyl ester, O-methyl N-[(E)-3-phenylprop-2-enoyl]carbamothioate
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 1.7473 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 373.43414 |
Chemical Identifiers
| CAS Number | 71403-12-8 |
|---|---|
| SMILES | COC(=S)NC(=O)/C=C/C1=CC=CC=C1 |
Product Overview
O-methyl cinnamoylthiocarbamate (CAS 71403-12-8), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: O-methyl N-[(E)-3-phenylprop-2-enoyl]carbamothioate.
Chemical Property Profile of O-methyl cinnamoylthiocarbamate
Property Insights of O-methyl cinnamoylthiocarbamate
The XLogP value of 1.7473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-methyl cinnamoylthiocarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, O-methyl cinnamoylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl cinnamoylthiocarbamate has 1 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 O-methyl cinnamoylthiocarbamate?
The CAS number of O-methyl cinnamoylthiocarbamate is 71403-12-8.
What is the molecular formula of O-methyl cinnamoylthiocarbamate?
The molecular formula of O-methyl cinnamoylthiocarbamate is C11H11NO2S.
What is the molecular weight of O-methyl cinnamoylthiocarbamate?
The molecular weight of O-methyl cinnamoylthiocarbamate is 221.05 g/mol.
Where can I buy O-methyl cinnamoylthiocarbamate?
You can request a quote for O-methyl cinnamoylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl cinnamoylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl cinnamoylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.