3-(Cyanomethoxy)phenyl dimethylcarbamate
TL;DR: 3-(Cyanomethoxy)phenyl dimethylcarbamate (CAS 149339-29-7) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(cyanomethoxy)phenyl] N,N-dimethylcarbamate
Also Known As: 3-(cyanomethoxy)phenyl dimethylcarbamate, 3-(cyanomethoxy)phenyl N,N-dimethylcarbamate, [3-(cyanomethoxy)phenyl] N,N-dimethylcarbamate, AQ-776/42801506, Dimethylcarbamic acid 3-[(cyanomethyl)oxy]phenyl ester
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.64938 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 409.93585 |
Chemical Identifiers
| CAS Number | 149339-29-7 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC=CC(=C1)OCC#N |
Product Overview
3-(Cyanomethoxy)phenyl dimethylcarbamate (CAS 149339-29-7), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: [3-(cyanomethoxy)phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of 3-(Cyanomethoxy)phenyl dimethylcarbamate
Property Insights of 3-(Cyanomethoxy)phenyl dimethylcarbamate
The XLogP value of 1.64938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyanomethoxy)phenyl dimethylcarbamate. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Cyanomethoxy)phenyl dimethylcarbamate. Following Lipinski's Rule of Five, 3-(Cyanomethoxy)phenyl dimethylcarbamate has 0 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 3-(Cyanomethoxy)phenyl dimethylcarbamate?
The CAS number of 3-(Cyanomethoxy)phenyl dimethylcarbamate is 149339-29-7.
What is the molecular formula of 3-(Cyanomethoxy)phenyl dimethylcarbamate?
The molecular formula of 3-(Cyanomethoxy)phenyl dimethylcarbamate is C11H12N2O3.
What is the molecular weight of 3-(Cyanomethoxy)phenyl dimethylcarbamate?
The molecular weight of 3-(Cyanomethoxy)phenyl dimethylcarbamate is 220.08 g/mol.
Where can I buy 3-(Cyanomethoxy)phenyl dimethylcarbamate?
You can request a quote for 3-(Cyanomethoxy)phenyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Cyanomethoxy)phenyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyanomethoxy)phenyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.