(4-Chlorophenyl) ethyl carbonate
TL;DR: (4-Chlorophenyl) ethyl carbonate (CAS 22719-87-5) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) ethyl carbonate
Also Known As: 4-chlorophenyl ethyl carbonate, (4-chlorophenyl) ethyl carbonate, Carbonic acid ethyl 4-chlorophenyl ester, Carbonic acid, ethyl 4-chlorophenyl ester, J1.108.669A
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 22719-87-5 |
|---|---|
| SMILES | CCOC(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | YVZRSAKDPDOUPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Chlorophenyl) ethyl carbonate (CAS 22719-87-5), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: (4-chlorophenyl) ethyl carbonate.
Chemical Property Profile of (4-Chlorophenyl) ethyl carbonate
Property Insights of (4-Chlorophenyl) ethyl carbonate
The XLogP value of 3.1 indicates that (4-Chlorophenyl) ethyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (4-Chlorophenyl) ethyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl) ethyl carbonate has 0 hydrogen bond donor(s) and 3 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-Chlorophenyl) ethyl carbonate?
The CAS number of (4-Chlorophenyl) ethyl carbonate is 22719-87-5.
What is the molecular formula of (4-Chlorophenyl) ethyl carbonate?
The molecular formula of (4-Chlorophenyl) ethyl carbonate is C9H9ClO3.
What is the molecular weight of (4-Chlorophenyl) ethyl carbonate?
The molecular weight of (4-Chlorophenyl) ethyl carbonate is 200.02 g/mol.
Where can I buy (4-Chlorophenyl) ethyl carbonate?
You can request a quote for (4-Chlorophenyl) ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl) ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl) ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.