RefChem:326949
TL;DR: RefChem:326949 (CAS 51134-98-6) is a chemical compound with molecular formula C36H44I6N4O12 and molecular weight 1485.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(butanoylamino)methyl]-5-[3-[2-[2-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Also Known As: Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis (5-(butyramidomethyl)-2,4,6-triiodo-, 3-[(butanoylamino)methyl]-5-[3-[2-[2-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid, BENZOIC ACID, 3,3'-(ETHYLENEBIS(OXYETHYLENEOXYETHYLENECARBONYLIMINO))BIS(5-(BUTY, 3,3'-[(1,16-Dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)bis(azanediyl)]bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid], RefChem:326949
| Molecular Formula | C36H44I6N4O12 |
|---|---|
| Molecular Weight | 1485.72 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 27 |
| Exact Mass | 1485.7224 |
| Heavy Atoms | 58 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 51134-98-6 |
|---|---|
| SMILES | CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I |
| InChIKey | YJGUFGSANDGQNS-UHFFFAOYSA-N |
Product Overview
RefChem:326949 (CAS 51134-98-6), with molecular formula C36H44I6N4O12 and molecular weight 1485.72 g/mol. IUPAC: 3-[(butanoylamino)methyl]-5-[3-[2-[2-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of RefChem:326949
Property Insights of RefChem:326949
The XLogP value of 4.1 indicates that RefChem:326949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.0 Ų indicates high polarity, suggesting RefChem:326949 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326949 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:326949?
The CAS number of RefChem:326949 is 51134-98-6.
What is the molecular formula of RefChem:326949?
The molecular formula of RefChem:326949 is C36H44I6N4O12.
What is the molecular weight of RefChem:326949?
The molecular weight of RefChem:326949 is 1485.72 g/mol.
Where can I buy RefChem:326949?
You can request a quote for RefChem:326949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.