1-Chloroethyl 4-chlorophenyl carbonate
TL;DR: 1-Chloroethyl 4-chlorophenyl carbonate (CAS 117971-97-8) is a chemical compound with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloroethyl (4-chlorophenyl) carbonate
Also Known As: 1-chloroethyl 4-chlorophenyl carbonate, 4-chlorophenyl 1-chloroethylcarbonate, 1-chloroethyl (4-chlorophenyl) Carbonate, 659-208-0, RefChem:431486
| Molecular Formula | C9H8Cl2O3 |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 3.4402 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.98505 |
| Heavy Atoms | 14 |
| Complexity | 308.33804 |
Chemical Identifiers
| CAS Number | 117971-97-8 |
|---|---|
| SMILES | CC(OC(=O)OC1=CC=C(C=C1)Cl)Cl |
Product Overview
1-Chloroethyl 4-chlorophenyl carbonate (CAS 117971-97-8), with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol. IUPAC: 1-chloroethyl (4-chlorophenyl) carbonate.
Chemical Property Profile of 1-Chloroethyl 4-chlorophenyl carbonate
Property Insights of 1-Chloroethyl 4-chlorophenyl carbonate
The XLogP value of 3.4402 indicates that 1-Chloroethyl 4-chlorophenyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 1-Chloroethyl 4-chlorophenyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloroethyl 4-chlorophenyl 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 1-Chloroethyl 4-chlorophenyl carbonate?
The CAS number of 1-Chloroethyl 4-chlorophenyl carbonate is 117971-97-8.
What is the molecular formula of 1-Chloroethyl 4-chlorophenyl carbonate?
The molecular formula of 1-Chloroethyl 4-chlorophenyl carbonate is C9H8Cl2O3.
What is the molecular weight of 1-Chloroethyl 4-chlorophenyl carbonate?
The molecular weight of 1-Chloroethyl 4-chlorophenyl carbonate is 233.99 g/mol.
Where can I buy 1-Chloroethyl 4-chlorophenyl carbonate?
You can request a quote for 1-Chloroethyl 4-chlorophenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloroethyl 4-chlorophenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloroethyl 4-chlorophenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.