4-Chlorophenyl propan-2-yl carbonate
TL;DR: 4-Chlorophenyl propan-2-yl carbonate (CAS 5848-40-8) is a chemical compound with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) propan-2-yl carbonate
Also Known As: 4-chlorophenyl propan-2-yl carbonate, (4-chlorophenyl) propan-2-yl carbonate, 1-CHLORO-2-(2-HYDROXYPROPYL)BENZENE, Carbonic acid, 4-chlorophenyl 1-methylethyl ester, CARBONIC ACID, 4-CHLOROPHENYL ISOPROPYL ESTER
| Molecular Formula | C10H11ClO3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.03967 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 5848-40-8 |
|---|---|
| SMILES | CC(C)OC(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | KXPARZVMMVYOJN-UHFFFAOYSA-N |
Product Overview
4-Chlorophenyl propan-2-yl carbonate (CAS 5848-40-8), with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol. IUPAC: (4-chlorophenyl) propan-2-yl carbonate.
Chemical Property Profile of 4-Chlorophenyl propan-2-yl carbonate
Property Insights of 4-Chlorophenyl propan-2-yl carbonate
The XLogP value of 3.5 indicates that 4-Chlorophenyl propan-2-yl 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 propan-2-yl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl propan-2-yl 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 propan-2-yl carbonate?
The CAS number of 4-Chlorophenyl propan-2-yl carbonate is 5848-40-8.
What is the molecular formula of 4-Chlorophenyl propan-2-yl carbonate?
The molecular formula of 4-Chlorophenyl propan-2-yl carbonate is C10H11ClO3.
What is the molecular weight of 4-Chlorophenyl propan-2-yl carbonate?
The molecular weight of 4-Chlorophenyl propan-2-yl carbonate is 214.04 g/mol.
Where can I buy 4-Chlorophenyl propan-2-yl carbonate?
You can request a quote for 4-Chlorophenyl propan-2-yl 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 propan-2-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl propan-2-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.