(Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate
TL;DR: (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate (CAS 98992-07-5) 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-pentan-3-ylcarbamate
Also Known As: (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate, [cyano-(3-phenoxyphenyl)methyl] N-pentan-3-ylcarbamate, (Cyano-(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate, Cyano(3-phenoxyphenyl)methyl hydrogen pentan-3-ylcarbonimidate
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 98992-07-5 |
|---|---|
| SMILES | CCC(CC)NC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | VSGCVFOBYJXEEQ-UHFFFAOYSA-N |
Product Overview
(Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate (CAS 98992-07-5), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-pentan-3-ylcarbamate.
Chemical Property Profile of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate
Property Insights of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate
The XLogP value of 5.3 indicates that (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate 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-pentan-3-ylcarbamate. Following Lipinski's Rule of Five, (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate?
The CAS number of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate is 98992-07-5.
What is the molecular formula of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate?
The molecular formula of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate is C20H22N2O3.
What is the molecular weight of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate?
The molecular weight of (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate is 338.16 g/mol.
Where can I buy (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate?
You can request a quote for (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate 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-pentan-3-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (Cyano(3-phenoxyphenyl)methyl) N-pentan-3-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.