Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-
TL;DR: Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- (CAS 13072-72-5) is a chemical compound with molecular formula C12H12I3NO4 and molecular weight 614.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-2,4,6-triiodophenyl)methyl]pentanedioic acid
Also Known As: 2-(3-Amino-2,4,6-triiodobenzyl)glutaric acid, Glutaric acid, 2-(3-amino-2,4,6-triiodobenzyl)-, 2-[(3-amino-2,4,6-triiodophenyl)methyl]pentanedioic acid, Acido 2-(3-amino-2,4,6-triiodobenzil)glutarico, Acido 2-(3-amino-2,4,6-triiodobenzil)glutarico [Italian]
| Molecular Formula | C12H12I3NO4 |
|---|---|
| Molecular Weight | 614.79 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 614.7901 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 13072-72-5 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)N)I)CC(CCC(=O)O)C(=O)O)I |
| InChIKey | KYSLQCGPVCDUGG-UHFFFAOYSA-N |
Product Overview
Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- (CAS 13072-72-5), with molecular formula C12H12I3NO4 and molecular weight 614.79 g/mol. IUPAC: 2-[(3-amino-2,4,6-triiodophenyl)methyl]pentanedioic acid.
Chemical Property Profile of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-
Property Insights of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-. Following Lipinski's Rule of Five, Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-?
The CAS number of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- is 13072-72-5.
What is the molecular formula of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-?
The molecular formula of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- is C12H12I3NO4.
What is the molecular weight of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-?
The molecular weight of Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- is 614.79 g/mol.
Where can I buy Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-?
You can request a quote for Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 2-((3-amino-2,4,6-triiodophenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.