3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione
TL;DR: 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione (CAS 685895-58-3) is a chemical compound with molecular formula C23H25IO3 and molecular weight 476.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione
Also Known As: J2.025.894B, 3-heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione, 3-heptyl-7-(2-iodophenyl)-7-methyl-6H-isochromene-6,8(7H)-dione, 3-heptyl-7-(2-iodophenyl)-7-methyl-7,8-dihydro-6H-isochromene-6,8-dione, 3-Heptyl-7-methyl-7-(2-iodophenyl)-6H-2-benzopyran-6,8(7H)-dione
| Molecular Formula | C23H25IO3 |
|---|---|
| Molecular Weight | 476.08 g/mol |
| LogP | 5.7856 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.08484 |
| Heavy Atoms | 27 |
| Complexity | 846.9344 |
Chemical Identifiers
| CAS Number | 685895-58-3 |
|---|---|
| SMILES | CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)C3=CC=CC=C3I |
Product Overview
3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione (CAS 685895-58-3), with molecular formula C23H25IO3 and molecular weight 476.08 g/mol. IUPAC: 3-heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione.
Chemical Property Profile of 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione
Property Insights of 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione
The XLogP value of 5.7856 indicates that 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione 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 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione?
The CAS number of 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione is 685895-58-3.
What is the molecular formula of 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione?
The molecular formula of 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione is C23H25IO3.
What is the molecular weight of 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione?
The molecular weight of 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione is 476.08 g/mol.
Where can I buy 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione?
You can request a quote for 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.