RefChem:326938
TL;DR: RefChem:326938 (CAS 51134-92-0) is a chemical compound with molecular formula C30H28I6N4O8 and molecular weight 1333.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Also Known As: [9]Anthryl-chlor-disulfan|5-21-06-00379 (Beilstein Handbook Reference)|Benzoic acid, 3,3'-(adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-|3,3'-(Adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)|3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid|3,3 -(Adipoyldiimino)bis[5-[(2-oxo-1-pyrrolidinyl)methyl]-2,4,6-triiodobenzoic acid]|3,3'-[(1,6-Dioxohexane-1,6-diyl)bis(azanediyl)]bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}|3-[5-({3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl}carbamoyl)pentanamido]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid|Benzoic acid,3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]-(9CI)|BRN 1523080|RefChem:326938|DTXCID40121647
| Molecular Formula | C30H28I6N4O8 |
|---|---|
| Molecular Weight | 1333.62 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 1333.6176 |
| Heavy Atoms | 48 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 51134-92-0 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I |
| InChIKey | DXYQAEKHSLXMEF-UHFFFAOYSA-N |
Product Overview
RefChem:326938 (CAS 51134-92-0), with molecular formula C30H28I6N4O8 and molecular weight 1333.62 g/mol. IUPAC: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid.
Chemical Property Profile of RefChem:326938
Property Insights of RefChem:326938
The XLogP value of 4.2 indicates that RefChem:326938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting RefChem:326938 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326938 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326938?
The CAS number of RefChem:326938 is 51134-92-0.
What is the molecular formula of RefChem:326938?
The molecular formula of RefChem:326938 is C30H28I6N4O8.
What is the molecular weight of RefChem:326938?
The molecular weight of RefChem:326938 is 1333.62 g/mol.
Where can I buy RefChem:326938?
You can request a quote for RefChem:326938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326938?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.