Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-
TL;DR: Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- (CAS 39964-46-0) is a chemical compound with molecular formula C22H30I3N3O5 and molecular weight 796.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[3-(diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid
Also Known As: Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-, 2-[({3-(diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl}amino)methyl]butanoic acid, 2-[[[3-(diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid, 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-methylethyl)-, 2-({[{3-(Diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodophenyl}(hydroxy)methylidene]amino}methyl)butanoic acid
| Molecular Formula | C22H30I3N3O5 |
|---|---|
| Molecular Weight | 796.93 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 796.932 |
| Heavy Atoms | 33 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 39964-46-0 |
|---|---|
| SMILES | CCC(CNC(=O)C1=C(C(=C(C(=C1I)N(CC)C(=O)CC)I)C(=O)N(CC)CC)I)C(=O)O |
| InChIKey | BSKPDGFAFRGRTJ-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- (CAS 39964-46-0), with molecular formula C22H30I3N3O5 and molecular weight 796.93 g/mol. IUPAC: 2-[[[3-(diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid.
Chemical Property Profile of Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-
Property Insights of Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-
The XLogP value of 4.0 indicates that Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-. Following Lipinski's Rule of Five, Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- has 2 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 Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-?
The CAS number of Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- is 39964-46-0.
What is the molecular formula of Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-?
The molecular formula of Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- is C22H30I3N3O5.
What is the molecular weight of Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-?
The molecular weight of Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- is 796.93 g/mol.
Where can I buy Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-?
You can request a quote for Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.