Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate
TL;DR: Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate (CAS 98992-17-7) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 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-ethylcarbamate
Also Known As: Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate, Cyano(3-phenoxyphenyl)methyl butyl(ethyl)carbamate, [cyano-(3-phenoxyphenyl)methyl] N-butyl-N-ethylcarbamate, [cyano-(3-phenoxyphenyl)methyl] N-butyl-N-ethyl-carbamate, Carbamic acid, N-butyl-N-ethyl-, cyano(3-phenoxyphenyl)methyl ester
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 98992-17-7 |
|---|---|
| SMILES | CCCCN(CC)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | IDUYYEYQHFFNEE-UHFFFAOYSA-N |
Product Overview
Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate (CAS 98992-17-7), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-butyl-N-ethylcarbamate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate
Property Insights of Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate
The XLogP value of 5.2 indicates that Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate 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-ethylcarbamate. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate has 0 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-butyl-N-ethylcarbamate?
The CAS number of Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate is 98992-17-7.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate is C21H24N2O3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate is 352.18 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate 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-ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl N-butyl-N-ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.