RefChem:324246
TL;DR: RefChem:324246 (CAS 29779-60-0) is a chemical compound with molecular formula C18H14I4N2O4 and molecular weight 829.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid
Also Known As: alpha-(((4-((Methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)benzeneacetic acid, Benzeneacetic acid, alpha-(((4-((methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)-, beta-((4-Methylcarbamoyl-2,3,5,6-tetrajod-benzoyl)-amino)-alpha-phenylpropionsaure [German], beta-((4-Methylcarbamoyl-2,3,5,6-tetrajod-benzoyl)-amino)-alpha-phenylpropionsaure, 2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid
| Molecular Formula | C18H14I4N2O4 |
|---|---|
| Molecular Weight | 829.71 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 829.7132 |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 29779-60-0 |
|---|---|
| SMILES | CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)NCC(C2=CC=CC=C2)C(=O)O)I)I |
| InChIKey | QMDJQKHMJNXUEJ-UHFFFAOYSA-N |
Product Overview
RefChem:324246 (CAS 29779-60-0), with molecular formula C18H14I4N2O4 and molecular weight 829.71 g/mol. IUPAC: 2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid.
Chemical Property Profile of RefChem:324246
Property Insights of RefChem:324246
The XLogP value of 4.3 indicates that RefChem:324246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:324246. Following Lipinski's Rule of Five, RefChem:324246 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:324246?
The CAS number of RefChem:324246 is 29779-60-0.
What is the molecular formula of RefChem:324246?
The molecular formula of RefChem:324246 is C18H14I4N2O4.
What is the molecular weight of RefChem:324246?
The molecular weight of RefChem:324246 is 829.71 g/mol.
Where can I buy RefChem:324246?
You can request a quote for RefChem:324246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:324246?
Yes, KEHONG BIO provides custom synthesis services for RefChem:324246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.