BRN 1523583
TL;DR: BRN 1523583 (CAS 26090-52-8) is a chemical compound with molecular formula C31H30I6N4O8 and molecular weight 1347.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxoheptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Also Known As: 5-21-06-00379 (Beilstein Handbook Reference), Benzoic acid, 3,3'-(pimeloyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-, 3,3'-Pimeloyldiiminobis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid), 3,3 -(Pimeloyldiimino)bis[5-[(2-oxo-1-pyrrolidinyl)methyl]-2,4,6-triiodobenzoic acid], 3,3'-[(1,7-Dioxoheptane-1,7-diyl)bis(azanediyl)]bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}
| Molecular Formula | C31H30I6N4O8 |
|---|---|
| Molecular Weight | 1347.63 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 1347.6332 |
| Heavy Atoms | 49 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 26090-52-8 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I |
| InChIKey | XDBXTDURSCEOFR-UHFFFAOYSA-N |
Product Overview
BRN 1523583 (CAS 26090-52-8), with molecular formula C31H30I6N4O8 and molecular weight 1347.63 g/mol. IUPAC: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxoheptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid.
Chemical Property Profile of BRN 1523583
Property Insights of BRN 1523583
The XLogP value of 4.8 indicates that BRN 1523583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting BRN 1523583 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 1523583 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 BRN 1523583?
The CAS number of BRN 1523583 is 26090-52-8.
What is the molecular formula of BRN 1523583?
The molecular formula of BRN 1523583 is C31H30I6N4O8.
What is the molecular weight of BRN 1523583?
The molecular weight of BRN 1523583 is 1347.63 g/mol.
Where can I buy BRN 1523583?
You can request a quote for BRN 1523583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 1523583?
Yes, KEHONG BIO provides custom synthesis services for BRN 1523583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.