2-Chlorophenyl ethyl carbonate
TL;DR: 2-Chlorophenyl ethyl carbonate (CAS 1847-88-7) 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.
(2-chlorophenyl) ethyl carbonate
Also Known As: 2-chlorophenyl ethyl carbonate, (2-chlorophenyl) ethyl carbonate, NCIOpen2_003314, (2-Chlor-phenyl)-ethyl-carbonat, Carbonic acid,2-chlorophenyl ethyl ester
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 3.0 |
| 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 | 172.0 |
Chemical Identifiers
| CAS Number | 1847-88-7 |
|---|---|
| SMILES | CCOC(=O)OC1=CC=CC=C1Cl |
| InChIKey | QRZPLIREDJPIHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorophenyl ethyl carbonate (CAS 1847-88-7), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: (2-chlorophenyl) ethyl carbonate.
Chemical Property Profile of 2-Chlorophenyl ethyl carbonate
Property Insights of 2-Chlorophenyl ethyl carbonate
The XLogP value of 3.0 indicates that 2-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, 2-Chlorophenyl ethyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Chlorophenyl ethyl carbonate?
The CAS number of 2-Chlorophenyl ethyl carbonate is 1847-88-7.
What is the molecular formula of 2-Chlorophenyl ethyl carbonate?
The molecular formula of 2-Chlorophenyl ethyl carbonate is C9H9ClO3.
What is the molecular weight of 2-Chlorophenyl ethyl carbonate?
The molecular weight of 2-Chlorophenyl ethyl carbonate is 200.02 g/mol.
Where can I buy 2-Chlorophenyl ethyl carbonate?
You can request a quote for 2-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 2-Chlorophenyl ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.