Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester
TL;DR: Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester (CAS 60075-87-8) is a chemical compound with molecular formula C18H27IO3 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-[(4-iodophenyl)methyl]butyl carbonate
Also Known As: Hexyl 2-((4-iodophenyl)methyl)butyl carbonate, hexyl 2-[(4-iodophenyl)methyl]butyl carbonate, Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester, BRN 1998545, RefChem:333407
| Molecular Formula | C18H27IO3 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 5.5934 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 418.1005 |
| Heavy Atoms | 22 |
| Complexity | 416.84537 |
Chemical Identifiers
| CAS Number | 60075-87-8 |
|---|---|
| SMILES | CCCCCCOC(=O)OCC(CC)CC1=CC=C(C=C1)I |
Product Overview
Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester (CAS 60075-87-8), with molecular formula C18H27IO3 and molecular weight 418.10 g/mol. IUPAC: hexyl 2-[(4-iodophenyl)methyl]butyl carbonate.
Chemical Property Profile of Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester
Property Insights of Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester
The XLogP value of 5.5934 indicates that Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl 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, hexyl 2-((4-iodophenyl)methyl)butyl ester?
The CAS number of Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester is 60075-87-8.
What is the molecular formula of Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester?
The molecular formula of Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester is C18H27IO3.
What is the molecular weight of Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester?
The molecular weight of Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester is 418.10 g/mol.
Where can I buy Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester?
You can request a quote for Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl 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, hexyl 2-((4-iodophenyl)methyl)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, hexyl 2-((4-iodophenyl)methyl)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.