Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate
TL;DR: Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate (CAS 98992-15-5) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] N-butyl-N-methylcarbamate
Also Known As: Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate, cyano(3-phenoxyphenyl)methyl butyl(methyl)carbamate, [cyano-(3-phenoxyphenyl)methyl] N-butyl-N-methyl-carbamate, [cyano-(3-phenoxyphenyl)methyl] N-butyl-N-methylcarbamate, Carbamic acid, N-butyl-N-methyl-, cyano(3-phenoxyphenyl)methyl ester
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 98992-15-5 |
|---|---|
| SMILES | CCCCN(C)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | DBYZSTUAVDLYOB-UHFFFAOYSA-N |
Product Overview
Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate (CAS 98992-15-5), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-butyl-N-methylcarbamate.
Chemical Property Profile of Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate
Property Insights of Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate
The XLogP value of 4.8 indicates that Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate. Following Lipinski's Rule of Five, Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate 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 Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate?
The CAS number of Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate is 98992-15-5.
What is the molecular formula of Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate?
The molecular formula of Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate is C20H22N2O3.
What is the molecular weight of Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate?
The molecular weight of Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate is 338.16 g/mol.
Where can I buy Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate?
You can request a quote for Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Cyano-(3-phenoxyphenyl)methyl N-butyl-N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.