Isoapocodein
TL;DR: Isoapocodein (CAS 36508-10-8) is a chemical compound with molecular formula C24H23ClN8O11S3 and molecular weight 730.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzenesulfonic acid
Also Known As: Isoapocodein, 5-((5-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonic acid, 2-[[1,6-Dihydro-1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)pyridine-3-yl]azo]-4-[[4-chloro-6-(3-sulfophenylamino)-s-triazine-2-yl]amino]benzenesulfonic acid, 3-Pyridinemethanesulfonic acid, 5-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, 3-Pyridinemethanesulfonic acid, 5-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
| Molecular Formula | C24H23ClN8O11S3 |
|---|---|
| Molecular Weight | 730.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 730.0337 |
| Heavy Atoms | 47 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 36508-10-8 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)O)Cl)S(=O)(=O)O)C)CS(=O)(=O)O)O |
| InChIKey | HUKARNXXFNUFKO-UHFFFAOYSA-N |
Product Overview
Isoapocodein (CAS 36508-10-8), with molecular formula C24H23ClN8O11S3 and molecular weight 730.03 g/mol. IUPAC: 4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of Isoapocodein
Property Insights of Isoapocodein
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoapocodein. The TPSA of 316.0 Ų indicates high polarity, suggesting Isoapocodein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoapocodein has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoapocodein?
The CAS number of Isoapocodein is 36508-10-8.
What is the molecular formula of Isoapocodein?
The molecular formula of Isoapocodein is C24H23ClN8O11S3.
What is the molecular weight of Isoapocodein?
The molecular weight of Isoapocodein is 730.03 g/mol.
Where can I buy Isoapocodein?
You can request a quote for Isoapocodein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoapocodein?
Yes, KEHONG BIO provides custom synthesis services for Isoapocodein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.