RefChem:326954
TL;DR: RefChem:326954 (CAS 51134-97-5) is a chemical compound with molecular formula C34H40I6N4O11 and molecular weight 1441.70 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-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Also Known As: Benzoic acid, 3,3'-(oxybis(ethyleneoxyethylenecarbonylimino))bis(5-(butyramidomethyl)-2,4,6-triiodo-, 3,3'-{Oxybis[ethane-2,1-diyloxy(1-oxopropane-3,1-diyl)azanediyl]}bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid], 3-[(butanoylamino)methyl]-5-[3-[2-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid, BRN 2800946, RefChem:326954
| Molecular Formula | C34H40I6N4O11 |
|---|---|
| Molecular Weight | 1441.70 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 24 |
| Exact Mass | 1441.6962 |
| Heavy Atoms | 55 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 51134-97-5 |
|---|---|
| SMILES | CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I |
| InChIKey | IUBZUALWPQQYOQ-UHFFFAOYSA-N |
Product Overview
RefChem:326954 (CAS 51134-97-5), with molecular formula C34H40I6N4O11 and molecular weight 1441.70 g/mol. IUPAC: 3-[(butanoylamino)methyl]-5-[3-[2-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of RefChem:326954
Property Insights of RefChem:326954
The XLogP value of 4.2 indicates that RefChem:326954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:326954 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326954 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326954?
The CAS number of RefChem:326954 is 51134-97-5.
What is the molecular formula of RefChem:326954?
The molecular formula of RefChem:326954 is C34H40I6N4O11.
What is the molecular weight of RefChem:326954?
The molecular weight of RefChem:326954 is 1441.70 g/mol.
Where can I buy RefChem:326954?
You can request a quote for RefChem:326954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326954?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.