Cyano(3-phenoxyphenyl)methyl N-propylcarbamate
TL;DR: Cyano(3-phenoxyphenyl)methyl N-propylcarbamate (CAS 98991-97-0) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] N-propylcarbamate
Also Known As: Cyano(3-phenoxyphenyl)methyl N-propylcarbamate, [cyano-(3-phenoxyphenyl)methyl] N-propylcarbamate, Cyano(3-phenoxyphenyl)methyl hydrogen propylcarbonimidate
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 98991-97-0 |
|---|---|
| SMILES | CCCNC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | PJGGRFHOZBJWNI-UHFFFAOYSA-N |
Product Overview
Cyano(3-phenoxyphenyl)methyl N-propylcarbamate (CAS 98991-97-0), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-propylcarbamate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl N-propylcarbamate
Property Insights of Cyano(3-phenoxyphenyl)methyl N-propylcarbamate
The XLogP value of 4.3 indicates that Cyano(3-phenoxyphenyl)methyl N-propylcarbamate 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-propylcarbamate. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl N-propylcarbamate 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-propylcarbamate?
The CAS number of Cyano(3-phenoxyphenyl)methyl N-propylcarbamate is 98991-97-0.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl N-propylcarbamate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl N-propylcarbamate is C18H18N2O3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl N-propylcarbamate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl N-propylcarbamate is 310.13 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl N-propylcarbamate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl N-propylcarbamate 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-propylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl N-propylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.