Cyano(3-phenoxyphenyl)methyl N-butylcarbamate
TL;DR: Cyano(3-phenoxyphenyl)methyl N-butylcarbamate (CAS 98992-00-8) is a chemical compound with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] N-butylcarbamate
Also Known As: Cyano(3-phenoxyphenyl)methyl N-butylcarbamate, [cyano-(3-phenoxyphenyl)methyl] N-butylcarbamate, Carbamic acid, N-butyl-, cyano(3-phenoxyphenyl)methyl ester, Cyano(3-phenoxyphenyl)methyl hydrogen butylcarbonimidate
| Molecular Formula | C19H20N2O3 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.1474 |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 98992-00-8 |
|---|---|
| SMILES | CCCCNC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | TUGOMFJCZHDIHT-UHFFFAOYSA-N |
Product Overview
Cyano(3-phenoxyphenyl)methyl N-butylcarbamate (CAS 98992-00-8), with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-butylcarbamate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl N-butylcarbamate
Property Insights of Cyano(3-phenoxyphenyl)methyl N-butylcarbamate
The XLogP value of 4.7 indicates that Cyano(3-phenoxyphenyl)methyl N-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyano(3-phenoxyphenyl)methyl N-butylcarbamate. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl N-butylcarbamate 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 Cyano(3-phenoxyphenyl)methyl N-butylcarbamate?
The CAS number of Cyano(3-phenoxyphenyl)methyl N-butylcarbamate is 98992-00-8.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl N-butylcarbamate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl N-butylcarbamate is C19H20N2O3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl N-butylcarbamate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl N-butylcarbamate is 324.15 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl N-butylcarbamate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl N-butylcarbamate 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-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.