N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane
TL;DR: N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane (CAS 5469-09-0) is a chemical compound with molecular formula C16H16ClNO4 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(hydroxymethyl)phenoxy]ethyl N-(4-chlorophenyl)carbamate
Also Known As: Sid 768723, N-(4-Chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane, 2-[4-(hydroxymethyl)phenoxy]ethyl(4-chlorophenyl)carbamate, 2-[4-(hydroxymethyl)phenoxy]ethyl N-(4-chlorophenyl)carbamate, 2-[4-(Hydroxymethyl)phenoxy]ethyl (4-chlorophenyl)carbamate
| Molecular Formula | C16H16ClNO4 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.07678 |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 5469-09-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CO)OCCOC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | CCLXTQNKELBRDH-UHFFFAOYSA-N |
Product Overview
N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane (CAS 5469-09-0), with molecular formula C16H16ClNO4 and molecular weight 321.08 g/mol. IUPAC: 2-[4-(hydroxymethyl)phenoxy]ethyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane
Property Insights of N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane has 2 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 N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane?
The CAS number of N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane is 5469-09-0.
What is the molecular formula of N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane?
The molecular formula of N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane is C16H16ClNO4.
What is the molecular weight of N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane?
The molecular weight of N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane is 321.08 g/mol.
Where can I buy N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane?
You can request a quote for N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-beta-(4-hydroxymethylphenoxy)ethylurethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.