beta-Chlorophenethyl chloroformate
TL;DR: beta-Chlorophenethyl chloroformate (CAS 84697-16-5) is a chemical compound with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-2-phenylethyl) carbonochloridate
Also Known As: beta-Chlorophenethyl chloroformate, EINECS 283-726-2, beta-chlorophenethylchloroformate, 2-Chlor-2-phenylethylchloroformat, 2-chloro-2-phenylethyl carbonochloridate
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 3.3419 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 274.203 |
Chemical Identifiers
| CAS Number | 84697-16-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(COC(=O)Cl)Cl |
Product Overview
beta-Chlorophenethyl chloroformate (CAS 84697-16-5), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: (2-chloro-2-phenylethyl) carbonochloridate.
Chemical Property Profile of beta-Chlorophenethyl chloroformate
Property Insights of beta-Chlorophenethyl chloroformate
The XLogP value of 3.3419 indicates that beta-Chlorophenethyl chloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, beta-Chlorophenethyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Chlorophenethyl chloroformate 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 beta-Chlorophenethyl chloroformate?
The CAS number of beta-Chlorophenethyl chloroformate is 84697-16-5.
What is the molecular formula of beta-Chlorophenethyl chloroformate?
The molecular formula of beta-Chlorophenethyl chloroformate is C9H8Cl2O2.
What is the molecular weight of beta-Chlorophenethyl chloroformate?
The molecular weight of beta-Chlorophenethyl chloroformate is 217.99 g/mol.
Where can I buy beta-Chlorophenethyl chloroformate?
You can request a quote for beta-Chlorophenethyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Chlorophenethyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for beta-Chlorophenethyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.