Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester
TL;DR: Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester (CAS 60075-70-9) is a chemical compound with molecular formula C14H19IO3 and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl)methyl 4-methylpentan-2-yl carbonate
Also Known As: 1,3-Dimethylbutyl p-iodobenzyl carbonate, p-Iodobenzyl-4-methyl-2-pentyl carbonate, (4-iodophenyl)methyl 4-methylpentan-2-yl carbonate, CARBONIC ACID, 1,3-DIMETHYLBUTYL p-IODOBENZYL ESTER, Carbonic acid, 1,3-dimethylbutyl (4-iodophenyl)methyl ester
| Molecular Formula | C14H19IO3 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.0379 |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 60075-70-9 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)OCC1=CC=C(C=C1)I |
| InChIKey | BCJVBOPJQSQTSA-UHFFFAOYSA-N |
Product Overview
Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester (CAS 60075-70-9), with molecular formula C14H19IO3 and molecular weight 362.04 g/mol. IUPAC: (4-iodophenyl)methyl 4-methylpentan-2-yl carbonate.
Chemical Property Profile of Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester
Property Insights of Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester
The XLogP value of 4.8 indicates that Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl 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, 1,3-dimethylbutyl p-iodobenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl 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, 1,3-dimethylbutyl p-iodobenzyl ester?
The CAS number of Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester is 60075-70-9.
What is the molecular formula of Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester?
The molecular formula of Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester is C14H19IO3.
What is the molecular weight of Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester?
The molecular weight of Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester is 362.04 g/mol.
Where can I buy Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester?
You can request a quote for Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl 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, 1,3-dimethylbutyl p-iodobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.