(2-Chlorophenyl) propan-2-yl carbonate
TL;DR: (2-Chlorophenyl) propan-2-yl carbonate (CAS 21333-69-7) 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.
(2-chlorophenyl) propan-2-yl carbonate
Also Known As: (2-chlorophenyl) propan-2-yl carbonate, 2-Chlorophenyl propan-2-yl carbonate
| Molecular Formula | C10H11ClO3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 3.4 |
| 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 | 194.0 |
Chemical Identifiers
| CAS Number | 21333-69-7 |
|---|---|
| SMILES | CC(C)OC(=O)OC1=CC=CC=C1Cl |
| InChIKey | MRGBAWVMCGYMLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Chlorophenyl) propan-2-yl carbonate (CAS 21333-69-7), with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol. IUPAC: (2-chlorophenyl) propan-2-yl carbonate.
Chemical Property Profile of (2-Chlorophenyl) propan-2-yl carbonate
Property Insights of (2-Chlorophenyl) propan-2-yl carbonate
The XLogP value of 3.4 indicates that (2-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, (2-Chlorophenyl) propan-2-yl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-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 (2-Chlorophenyl) propan-2-yl carbonate?
The CAS number of (2-Chlorophenyl) propan-2-yl carbonate is 21333-69-7.
What is the molecular formula of (2-Chlorophenyl) propan-2-yl carbonate?
The molecular formula of (2-Chlorophenyl) propan-2-yl carbonate is C10H11ClO3.
What is the molecular weight of (2-Chlorophenyl) propan-2-yl carbonate?
The molecular weight of (2-Chlorophenyl) propan-2-yl carbonate is 214.04 g/mol.
Where can I buy (2-Chlorophenyl) propan-2-yl carbonate?
You can request a quote for (2-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 (2-Chlorophenyl) propan-2-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorophenyl) propan-2-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.