Isobutyl phenyl carbonate
TL;DR: Isobutyl phenyl carbonate (CAS 13183-18-1) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl phenyl carbonate
Also Known As: Isobutyl phenyl carbonate, 2-methylpropyl phenyl carbonate, Carbonic acid, isobutyl phenyl ester, Carbonic acid isobutylphenyl ester, Carbonic acid=2-methylpropyl=phenyl
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 13183-18-1 |
|---|---|
| SMILES | CC(C)COC(=O)OC1=CC=CC=C1 |
| InChIKey | MTFSSQVLWRFNAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl phenyl carbonate (CAS 13183-18-1), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-methylpropyl phenyl carbonate.
Chemical Property Profile of Isobutyl phenyl carbonate
Property Insights of Isobutyl phenyl carbonate
The XLogP value of 3.4 indicates that Isobutyl phenyl 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, Isobutyl phenyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl phenyl carbonate?
The CAS number of Isobutyl phenyl carbonate is 13183-18-1.
What is the molecular formula of Isobutyl phenyl carbonate?
The molecular formula of Isobutyl phenyl carbonate is C11H14O3.
What is the molecular weight of Isobutyl phenyl carbonate?
The molecular weight of Isobutyl phenyl carbonate is 194.09 g/mol.
Where can I buy Isobutyl phenyl carbonate?
You can request a quote for Isobutyl phenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.