Carbonic acid, 3,5-diiodobenzyl hexyl ester
TL;DR: Carbonic acid, 3,5-diiodobenzyl hexyl ester (CAS 60075-91-4) is a chemical compound with molecular formula C14H18I2O3 and molecular weight 487.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-diiodophenyl)methyl hexyl carbonate
Also Known As: 3,5-Diiodobenzyl hexyl carbonate, (3,5-diiodophenyl)methyl hexyl carbonate, CARBONIC ACID, 3,5-DIIODOBENZYL HEXYL ESTER, Carbonic acid hexyl 3,5-diiodobenzyl ester, Carbonic acid, (3,5-diiodophenyl)methyl hexyl ester
| Molecular Formula | C14H18I2O3 |
|---|---|
| Molecular Weight | 487.93 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.93454 |
| Heavy Atoms | 19 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 60075-91-4 |
|---|---|
| SMILES | CCCCCCOC(=O)OCC1=CC(=CC(=C1)I)I |
| InChIKey | GTEXUJKMQCYMIY-UHFFFAOYSA-N |
Product Overview
Carbonic acid, 3,5-diiodobenzyl hexyl ester (CAS 60075-91-4), with molecular formula C14H18I2O3 and molecular weight 487.93 g/mol. IUPAC: (3,5-diiodophenyl)methyl hexyl carbonate.
Chemical Property Profile of Carbonic acid, 3,5-diiodobenzyl hexyl ester
Property Insights of Carbonic acid, 3,5-diiodobenzyl hexyl ester
The XLogP value of 5.6 indicates that Carbonic acid, 3,5-diiodobenzyl hexyl 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, 3,5-diiodobenzyl hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 3,5-diiodobenzyl hexyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonic acid, 3,5-diiodobenzyl hexyl ester?
The CAS number of Carbonic acid, 3,5-diiodobenzyl hexyl ester is 60075-91-4.
What is the molecular formula of Carbonic acid, 3,5-diiodobenzyl hexyl ester?
The molecular formula of Carbonic acid, 3,5-diiodobenzyl hexyl ester is C14H18I2O3.
What is the molecular weight of Carbonic acid, 3,5-diiodobenzyl hexyl ester?
The molecular weight of Carbonic acid, 3,5-diiodobenzyl hexyl ester is 487.93 g/mol.
Where can I buy Carbonic acid, 3,5-diiodobenzyl hexyl ester?
You can request a quote for Carbonic acid, 3,5-diiodobenzyl hexyl 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, 3,5-diiodobenzyl hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 3,5-diiodobenzyl hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.