己基对碘苄基碳酸酯
TL;DR: 己基对碘苄基碳酸酯 (CAS 60075-68-5) 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.
己基对碘苄基碳酸酯
hexyl (4-iodophenyl)methyl carbonate
Also Known As: n-Hexyl p-iodobenzyl carbonate, Hexylp-iodobenzyl=carbonate, Hexyl p-iodobenzyl=carbonate, hexyl (4-iodophenyl)methyl carbonate, CARBONIC ACID, HEXYL p-IODOBENZYL ESTER
| Molecular Formula | C14H19IO3 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.0379 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 60075-68-5 |
|---|---|
| SMILES | CCCCCCOC(=O)OCC1=CC=C(C=C1)I |
| InChIKey | QQBIIJUFTHYHHY-UHFFFAOYSA-N |
Product Overview
己基对碘苄基碳酸酯 (CAS 60075-68-5), with molecular formula C14H19IO3 and molecular weight 362.04 g/mol. IUPAC: hexyl (4-iodophenyl)methyl carbonate.
Chemical Property Profile of 己基对碘苄基碳酸酯
Property Insights of 己基对碘苄基碳酸酯
The XLogP value of 5.0 indicates that 己基对碘苄基碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 己基对碘苄基碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己基对碘苄基碳酸酯 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 己基对碘苄基碳酸酯?
The CAS number of 己基对碘苄基碳酸酯 is 60075-68-5.
What is the molecular formula of 己基对碘苄基碳酸酯?
The molecular formula of 己基对碘苄基碳酸酯 is C14H19IO3.
What is the molecular weight of 己基对碘苄基碳酸酯?
The molecular weight of 己基对碘苄基碳酸酯 is 362.04 g/mol.
Where can I buy 己基对碘苄基碳酸酯?
You can request a quote for 己基对碘苄基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己基对碘苄基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 己基对碘苄基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.