Isopropyl phenyl carbonate
TL;DR: Isopropyl phenyl carbonate (CAS 943-57-7) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl propan-2-yl carbonate
Also Known As: Isopropyl phenyl carbonate, isopropylphenylcarbonate, phenyl propan-2-yl carbonate, Isopropyl=phenyl=carbonate, Isopropyl phenyl carbonate #
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 943-57-7 |
|---|---|
| SMILES | CC(C)OC(=O)OC1=CC=CC=C1 |
| InChIKey | KETKOCDCPHVSEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl phenyl carbonate (CAS 943-57-7), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: phenyl propan-2-yl carbonate.
Chemical Property Profile of Isopropyl phenyl carbonate
Property Insights of Isopropyl phenyl carbonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl phenyl carbonate. With a topological polar surface area (TPSA) of 35.5 Ų, Isopropyl phenyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl phenyl 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 Isopropyl phenyl carbonate?
The CAS number of Isopropyl phenyl carbonate is 943-57-7.
What is the molecular formula of Isopropyl phenyl carbonate?
The molecular formula of Isopropyl phenyl carbonate is C10H12O3.
What is the molecular weight of Isopropyl phenyl carbonate?
The molecular weight of Isopropyl phenyl carbonate is 180.08 g/mol.
Where can I buy Isopropyl phenyl carbonate?
You can request a quote for Isopropyl phenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.