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Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate
TL;DR: Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate (CAS 60075-85-6) 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.
ethyl 2-[(4-iodophenyl)methyl]butyl carbonate
Also Known As: 3-(4-Iodophenyl)-1-propanol, ethyl 2-[(4-iodophenyl)methyl]butyl carbonate, Carbonic acid ethyl 2-(p-iodobenzyl)butyl ester, Carbonic acid, ethyl 2-[(4-iodophenyl)methyl]butyl ester, CARBONIC ACID, ETHYL ESTER, ESTER with 2-(p-IODOBENZYL)BUTANOL
| Molecular Formula | C14H19IO3 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.0379 |
| Heavy Atoms | 18 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 60075-85-6 |
|---|---|
| SMILES | CCC(CC1=CC=C(C=C1)I)COC(=O)OCC |
| InChIKey | GJRWVOILYYUZOG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate (CAS 60075-85-6), with molecular formula C14H19IO3 and molecular weight 362.04 g/mol. IUPAC: ethyl 2-[(4-iodophenyl)methyl]butyl carbonate.
Chemical Property Profile of Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate
Property Insights of Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate
The XLogP value of 4.6 indicates that Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate 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 Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate?
The CAS number of Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate is 60075-85-6.
What is the molecular formula of Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate?
The molecular formula of Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate is C14H19IO3.
What is the molecular weight of Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate?
The molecular weight of Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate is 362.04 g/mol.
Where can I buy Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate?
You can request a quote for Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-iodophenyl)methyl]butyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.