RefChem:348317
TL;DR: RefChem:348317 (CAS 22708-51-6) is a chemical compound with molecular formula C21H21I3N2O4 and molecular weight 745.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[[3-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid
Also Known As: m-(3-(N-Methylacetamido)-2,4,6-triiodobenzamido)-alpha-ethylhydrocinnamic acid, Benzenepropanoic acid, 3-((3-(acetylmethylamino)-2,4,6-triiodobenzoyl)amino)-alpha-ethyl-, Hydrocinnamic acid, m-(3-(N-methylacetamido)-2,4,6-triiodobenzamido)-alpha-ethyl-, 2-[[3-[[3-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid, 2-[(3-{[{3-[Acetyl(methyl)amino]-2,4,6-triiodophenyl}(hydroxy)methylidene]amino}phenyl)methyl]butanoic acid
| Molecular Formula | C21H21I3N2O4 |
|---|---|
| Molecular Weight | 745.86 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 745.8635 |
| Heavy Atoms | 30 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 22708-51-6 |
|---|---|
| SMILES | CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N(C)C(=O)C)I)C(=O)O |
| InChIKey | XIIRYRVUZWCCQV-UHFFFAOYSA-N |
Product Overview
RefChem:348317 (CAS 22708-51-6), with molecular formula C21H21I3N2O4 and molecular weight 745.86 g/mol. IUPAC: 2-[[3-[[3-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid.
Chemical Property Profile of RefChem:348317
Property Insights of RefChem:348317
The XLogP value of 4.8 indicates that RefChem:348317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:348317. Following Lipinski's Rule of Five, RefChem:348317 has 2 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:348317?
The CAS number of RefChem:348317 is 22708-51-6.
What is the molecular formula of RefChem:348317?
The molecular formula of RefChem:348317 is C21H21I3N2O4.
What is the molecular weight of RefChem:348317?
The molecular weight of RefChem:348317 is 745.86 g/mol.
Where can I buy RefChem:348317?
You can request a quote for RefChem:348317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348317?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.