beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-
TL;DR: beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- (CAS 57469-52-0) is a chemical compound with molecular formula C15H16I3N3O6 and molecular weight 714.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]propanoic acid
Also Known As: beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-, N-(2,4,6-Triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-beta-alanine, N-[2,4,6-Triiodo-3-(2-methoxyacetamido)-5-(methylcarbamoyl)benzoyl]-beta-alanine, 3-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]propanoic acid, BRN 2918625
| Molecular Formula | C15H16I3N3O6 |
|---|---|
| Molecular Weight | 714.82 g/mol |
| LogP | 1.6494 |
| Topological Polar Surface Area | 133.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 714.8173 |
| Heavy Atoms | 27 |
| Complexity | 784.79626 |
Chemical Identifiers
| CAS Number | 57469-52-0 |
|---|---|
| SMILES | CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCCC(=O)O)I |
Product Overview
beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- (CAS 57469-52-0), with molecular formula C15H16I3N3O6 and molecular weight 714.82 g/mol. IUPAC: 3-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-
Property Insights of beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-
The XLogP value of 1.6494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-. The TPSA of 133.83 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-. Following Lipinski's Rule of Five, beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- has 4 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 beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-?
The CAS number of beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- is 57469-52-0.
What is the molecular formula of beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-?
The molecular formula of beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- is C15H16I3N3O6.
What is the molecular weight of beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-?
The molecular weight of beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- is 714.82 g/mol.
Where can I buy beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-?
You can request a quote for beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.