Carbonic acid, 2-ethylhexyl p-iodobenzyl ester
TL;DR: Carbonic acid, 2-ethylhexyl p-iodobenzyl ester (CAS 60075-72-1) is a chemical compound with molecular formula C16H23IO3 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl (4-iodophenyl)methyl carbonate
Also Known As: 2-Ethylhexyl-p-iodobenzyl carbonate, 2-Ethylhexyl 4-iodobenzyl carbonate, 2-ethylhexyl (4-iodophenyl)methyl carbonate, Carbonic acid, 2-ethylhexyl (4-iodophenyl)methyl ester, Carbonicacid2-ethylhexylp-iodobenzylester
| Molecular Formula | C16H23IO3 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.06918 |
| Heavy Atoms | 20 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 60075-72-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)OCC1=CC=C(C=C1)I |
| InChIKey | ZMRCGCQZTPUXRF-UHFFFAOYSA-N |
Product Overview
Carbonic acid, 2-ethylhexyl p-iodobenzyl ester (CAS 60075-72-1), with molecular formula C16H23IO3 and molecular weight 390.07 g/mol. IUPAC: 2-ethylhexyl (4-iodophenyl)methyl carbonate.
Chemical Property Profile of Carbonic acid, 2-ethylhexyl p-iodobenzyl ester
Property Insights of Carbonic acid, 2-ethylhexyl p-iodobenzyl ester
The XLogP value of 5.8 indicates that Carbonic acid, 2-ethylhexyl 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, 2-ethylhexyl p-iodobenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 2-ethylhexyl p-iodobenzyl 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, 2-ethylhexyl p-iodobenzyl ester?
The CAS number of Carbonic acid, 2-ethylhexyl p-iodobenzyl ester is 60075-72-1.
What is the molecular formula of Carbonic acid, 2-ethylhexyl p-iodobenzyl ester?
The molecular formula of Carbonic acid, 2-ethylhexyl p-iodobenzyl ester is C16H23IO3.
What is the molecular weight of Carbonic acid, 2-ethylhexyl p-iodobenzyl ester?
The molecular weight of Carbonic acid, 2-ethylhexyl p-iodobenzyl ester is 390.07 g/mol.
Where can I buy Carbonic acid, 2-ethylhexyl p-iodobenzyl ester?
You can request a quote for Carbonic acid, 2-ethylhexyl 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, 2-ethylhexyl p-iodobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 2-ethylhexyl p-iodobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.