RefChem:326952
TL;DR: RefChem:326952 (CAS 51134-96-4) is a chemical compound with molecular formula C34H40I6N4O12 and molecular weight 1457.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
Also Known As: Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-, 3,3'-[(1,16-Dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(propanamidomethyl)benzoic acid], 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid, BRN 2800963, RefChem:326952
| Molecular Formula | C34H40I6N4O12 |
|---|---|
| Molecular Weight | 1457.69 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 25 |
| Exact Mass | 1457.691 |
| Heavy Atoms | 56 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 51134-96-4 |
|---|---|
| SMILES | CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I |
| InChIKey | KUZJTMNFNORLJY-UHFFFAOYSA-N |
Product Overview
RefChem:326952 (CAS 51134-96-4), with molecular formula C34H40I6N4O12 and molecular weight 1457.69 g/mol. IUPAC: 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid.
Chemical Property Profile of RefChem:326952
Property Insights of RefChem:326952
The XLogP value of 3.4 indicates that RefChem:326952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.0 Ų indicates high polarity, suggesting RefChem:326952 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326952 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326952?
The CAS number of RefChem:326952 is 51134-96-4.
What is the molecular formula of RefChem:326952?
The molecular formula of RefChem:326952 is C34H40I6N4O12.
What is the molecular weight of RefChem:326952?
The molecular weight of RefChem:326952 is 1457.69 g/mol.
Where can I buy RefChem:326952?
You can request a quote for RefChem:326952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326952?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.