Carbonic acid ethyl 3-(p-iodophenyl)butyl ester
TL;DR: Carbonic acid ethyl 3-(p-iodophenyl)butyl ester (CAS 60075-82-3) is a chemical compound with molecular formula C13H17IO3 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-iodophenyl)butyl carbonate
Also Known As: Carbonicacidethyl3- butylester, 3-(4-Iodophenyl)-1-propanol, ethyl 3-(4-iodophenyl)butyl carbonate, Carbonic acid ethyl 3-(p-iodophenyl)butyl ester, Carbonic acid, ethyl 3-(4-iodophenyl)butyl ester
| Molecular Formula | C13H17IO3 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.02225 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 60075-82-3 |
|---|---|
| SMILES | CCOC(=O)OCCC(C)C1=CC=C(C=C1)I |
| InChIKey | UYQNCKPINNKFCP-UHFFFAOYSA-N |
Product Overview
Carbonic acid ethyl 3-(p-iodophenyl)butyl ester (CAS 60075-82-3), with molecular formula C13H17IO3 and molecular weight 348.02 g/mol. IUPAC: ethyl 3-(4-iodophenyl)butyl carbonate.
Chemical Property Profile of Carbonic acid ethyl 3-(p-iodophenyl)butyl ester
Property Insights of Carbonic acid ethyl 3-(p-iodophenyl)butyl ester
The XLogP value of 4.2 indicates that Carbonic acid ethyl 3-(p-iodophenyl)butyl 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 ethyl 3-(p-iodophenyl)butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid ethyl 3-(p-iodophenyl)butyl 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 ethyl 3-(p-iodophenyl)butyl ester?
The CAS number of Carbonic acid ethyl 3-(p-iodophenyl)butyl ester is 60075-82-3.
What is the molecular formula of Carbonic acid ethyl 3-(p-iodophenyl)butyl ester?
The molecular formula of Carbonic acid ethyl 3-(p-iodophenyl)butyl ester is C13H17IO3.
What is the molecular weight of Carbonic acid ethyl 3-(p-iodophenyl)butyl ester?
The molecular weight of Carbonic acid ethyl 3-(p-iodophenyl)butyl ester is 348.02 g/mol.
Where can I buy Carbonic acid ethyl 3-(p-iodophenyl)butyl ester?
You can request a quote for Carbonic acid ethyl 3-(p-iodophenyl)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 ethyl 3-(p-iodophenyl)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid ethyl 3-(p-iodophenyl)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.