Iodobenzylmalonate
TL;DR: Iodobenzylmalonate (CAS 2961-86-6) is a chemical compound with molecular formula C10H9IO4 and molecular weight 319.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-iodophenyl)methyl]propanedioic acid
Also Known As: Iodobenzylmalonate, iodobenzylmalonate ion, (4-iodobenzyl)propanedioic acid, 2-(4-Iodobenzyl)malonic acid, 2-[(4-iodophenyl)methyl]propanedioic acid
| Molecular Formula | C10H9IO4 |
|---|---|
| Molecular Weight | 319.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.95456 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2961-86-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)C(=O)O)I |
| InChIKey | SFNPFIRJKDCDGR-UHFFFAOYSA-N |
Product Overview
Iodobenzylmalonate (CAS 2961-86-6), with molecular formula C10H9IO4 and molecular weight 319.95 g/mol. IUPAC: 2-[(4-iodophenyl)methyl]propanedioic acid.
Chemical Property Profile of Iodobenzylmalonate
Property Insights of Iodobenzylmalonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodobenzylmalonate. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Iodobenzylmalonate. Following Lipinski's Rule of Five, Iodobenzylmalonate has 2 hydrogen bond donor(s) and 4 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 Iodobenzylmalonate?
The CAS number of Iodobenzylmalonate is 2961-86-6.
What is the molecular formula of Iodobenzylmalonate?
The molecular formula of Iodobenzylmalonate is C10H9IO4.
What is the molecular weight of Iodobenzylmalonate?
The molecular weight of Iodobenzylmalonate is 319.95 g/mol.
Where can I buy Iodobenzylmalonate?
You can request a quote for Iodobenzylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodobenzylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Iodobenzylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.