RefChem:331255
TL;DR: RefChem:331255 (CAS 25706-61-0) is a chemical compound with molecular formula C22H23I3N2O5 and molecular weight 775.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]-methylamino]phenoxy]butanoic acid
Also Known As: 2-(m-(3-(N-Ethylacetamido)-2,4,6-triiodo-N-methylbenzamido)phenoxy)butyric acid, Butanoic acid, 2-(3-((3-(acetylethylamino)-2,4,6-triiodobenzoyl)methylamino)phenoxy)-, Butyric acid, 2-(m-(3-(N-ethylacetamido)-2,4,6-triiodo-N-methylbenzamido)phenoxy)-, 2-{3-[{3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl}(methyl)amino]phenoxy}butanoic acid, 2-[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]-methylamino]phenoxy]butanoic acid
| Molecular Formula | C22H23I3N2O5 |
|---|---|
| Molecular Weight | 775.87 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 775.8741 |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 25706-61-0 |
|---|---|
| SMILES | CCC(C(=O)O)OC1=CC=CC(=C1)N(C)C(=O)C2=C(C(=C(C=C2I)I)N(CC)C(=O)C)I |
| InChIKey | YGNQNRNWCIJXMU-UHFFFAOYSA-N |
Product Overview
RefChem:331255 (CAS 25706-61-0), with molecular formula C22H23I3N2O5 and molecular weight 775.87 g/mol. IUPAC: 2-[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]-methylamino]phenoxy]butanoic acid.
Chemical Property Profile of RefChem:331255
Property Insights of RefChem:331255
The XLogP value of 5.1 indicates that RefChem:331255 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331255. Following Lipinski's Rule of Five, RefChem:331255 has 1 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 RefChem:331255?
The CAS number of RefChem:331255 is 25706-61-0.
What is the molecular formula of RefChem:331255?
The molecular formula of RefChem:331255 is C22H23I3N2O5.
What is the molecular weight of RefChem:331255?
The molecular weight of RefChem:331255 is 775.87 g/mol.
Where can I buy RefChem:331255?
You can request a quote for RefChem:331255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331255?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.