4-Chloronaphthalen-1-yl diethylcarbamate
TL;DR: 4-Chloronaphthalen-1-yl diethylcarbamate (CAS 431906-85-3) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloronaphthalen-1-yl) N,N-diethylcarbamate
Also Known As: 4-chloro-1-naphthyl diethylcarbamate, 4-chloronaphthalen-1-yl diethylcarbamate, (4-chloronaphthalen-1-yl) N,N-diethylcarbamate, 4-CHLORONAPHTHALEN-1-YL N,N-DIETHYLCARBAMATE, F0921-2538
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 431906-85-3 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC=C(C2=CC=CC=C21)Cl |
| InChIKey | CYMMHCOZWNOULJ-UHFFFAOYSA-N |
Product Overview
4-Chloronaphthalen-1-yl diethylcarbamate (CAS 431906-85-3), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: (4-chloronaphthalen-1-yl) N,N-diethylcarbamate.
Chemical Property Profile of 4-Chloronaphthalen-1-yl diethylcarbamate
Property Insights of 4-Chloronaphthalen-1-yl diethylcarbamate
The XLogP value of 4.3 indicates that 4-Chloronaphthalen-1-yl diethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Chloronaphthalen-1-yl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloronaphthalen-1-yl diethylcarbamate has 0 hydrogen bond donor(s) and 2 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 4-Chloronaphthalen-1-yl diethylcarbamate?
The CAS number of 4-Chloronaphthalen-1-yl diethylcarbamate is 431906-85-3.
What is the molecular formula of 4-Chloronaphthalen-1-yl diethylcarbamate?
The molecular formula of 4-Chloronaphthalen-1-yl diethylcarbamate is C15H16ClNO2.
What is the molecular weight of 4-Chloronaphthalen-1-yl diethylcarbamate?
The molecular weight of 4-Chloronaphthalen-1-yl diethylcarbamate is 277.09 g/mol.
Where can I buy 4-Chloronaphthalen-1-yl diethylcarbamate?
You can request a quote for 4-Chloronaphthalen-1-yl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloronaphthalen-1-yl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloronaphthalen-1-yl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.