Carbonic acid, p-iodobenzyl isobutyl ester
TL;DR: Carbonic acid, p-iodobenzyl isobutyl ester (CAS 60075-65-2) is a chemical compound with molecular formula C12H15IO3 and molecular weight 334.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl)methyl 2-methylpropyl carbonate
Also Known As: p-Iodobenzyl isobutyl carbonate, p-Iodobenzylisobutyl=carbonate, (4-iodophenyl)methyl 2-methylpropyl carbonate, CARBONIC ACID, p-IODOBENZYL ISOBUTYL ESTER, Carbonic acid, (4-iodophenyl)methyl 2-methylpropyl ester
| Molecular Formula | C12H15IO3 |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.0066 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 60075-65-2 |
|---|---|
| SMILES | CC(C)COC(=O)OCC1=CC=C(C=C1)I |
| InChIKey | PTQZRKUQHGBWQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, p-iodobenzyl isobutyl ester (CAS 60075-65-2), with molecular formula C12H15IO3 and molecular weight 334.01 g/mol. IUPAC: (4-iodophenyl)methyl 2-methylpropyl carbonate.
Chemical Property Profile of Carbonic acid, p-iodobenzyl isobutyl ester
Property Insights of Carbonic acid, p-iodobenzyl isobutyl ester
The XLogP value of 4.0 indicates that Carbonic acid, p-iodobenzyl isobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, p-iodobenzyl isobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, p-iodobenzyl isobutyl ester 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 Carbonic acid, p-iodobenzyl isobutyl ester?
The CAS number of Carbonic acid, p-iodobenzyl isobutyl ester is 60075-65-2.
What is the molecular formula of Carbonic acid, p-iodobenzyl isobutyl ester?
The molecular formula of Carbonic acid, p-iodobenzyl isobutyl ester is C12H15IO3.
What is the molecular weight of Carbonic acid, p-iodobenzyl isobutyl ester?
The molecular weight of Carbonic acid, p-iodobenzyl isobutyl ester is 334.01 g/mol.
Where can I buy Carbonic acid, p-iodobenzyl isobutyl ester?
You can request a quote for Carbonic acid, p-iodobenzyl isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, p-iodobenzyl isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, p-iodobenzyl isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.