RefChem:346492
TL;DR: RefChem:346492 (CAS 29779-61-1) is a chemical compound with molecular formula C13H10I4N2O6 and molecular weight 797.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid
Also Known As: Glycine, N-(4-(((carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-methyl-, N-(4-(((Carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-methylglycine, N-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-methyl-aminoessigsaure [German], N-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-methyl-aminoessigsaure, {4-[(Carboxymethyl)carbamoyl]-2,3,5,6-tetraiodo-N-methylbenzamido}acetic acid
| Molecular Formula | C13H10I4N2O6 |
|---|---|
| Molecular Weight | 797.67 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 797.6718 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 29779-61-1 |
|---|---|
| SMILES | CN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)C(=O)NCC(=O)O)I)I |
| InChIKey | XSDOVFIAAPWZHU-UHFFFAOYSA-N |
Product Overview
RefChem:346492 (CAS 29779-61-1), with molecular formula C13H10I4N2O6 and molecular weight 797.67 g/mol. IUPAC: 2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid.
Chemical Property Profile of RefChem:346492
Property Insights of RefChem:346492
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:346492. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:346492. Following Lipinski's Rule of Five, RefChem:346492 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:346492?
The CAS number of RefChem:346492 is 29779-61-1.
What is the molecular formula of RefChem:346492?
The molecular formula of RefChem:346492 is C13H10I4N2O6.
What is the molecular weight of RefChem:346492?
The molecular weight of RefChem:346492 is 797.67 g/mol.
Where can I buy RefChem:346492?
You can request a quote for RefChem:346492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:346492?
Yes, KEHONG BIO provides custom synthesis services for RefChem:346492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.