Benaxibine sodium
TL;DR: Benaxibine sodium (CAS 70476-83-4) is a chemical compound with molecular formula C24H38Cl4N6O4 and molecular weight 614.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydroxy-5,8-bis[2-[2-(methylamino)ethylamino]ethylamino]anthracene-9,10-dione;tetrahydrochloride
Also Known As: Benaxibine sodium, KST-1B8143, Monosodium 4-(D-xyloxylamino)benzoate, 1,4-Dihydroxy-5,8-bis((2-((2-(methylamino)ethyl)amino)ethyl)amino)-9,10-anthracenedione tetrahydrochloride, p-Aminobenzoic acid-n-xyloside, sodium salt
| Molecular Formula | C24H38Cl4N6O4 |
|---|---|
| Molecular Weight | 614.17 g/mol |
| LogP | 2.0022 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 614.17084 |
| Heavy Atoms | 38 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 70476-83-4 |
|---|---|
| SMILES | CNCCNCCNC1=C2C(=C(C=C1)NCCNCCNC)C(=O)C3=C(C=CC(=C3C2=O)O)O.Cl.Cl.Cl.Cl |
| InChIKey | OBVUACVVNCTTNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benaxibine sodium (CAS 70476-83-4), with molecular formula C24H38Cl4N6O4 and molecular weight 614.17 g/mol. IUPAC: 1,4-dihydroxy-5,8-bis[2-[2-(methylamino)ethylamino]ethylamino]anthracene-9,10-dione;tetrahydrochloride.
Chemical Property Profile of Benaxibine sodium
Property Insights of Benaxibine sodium
The XLogP value of 2.0022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benaxibine sodium. The TPSA of 147.0 Ų indicates high polarity, suggesting Benaxibine sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benaxibine sodium has 12 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benaxibine sodium?
The CAS number of Benaxibine sodium is 70476-83-4.
What is the molecular formula of Benaxibine sodium?
The molecular formula of Benaxibine sodium is C24H38Cl4N6O4.
What is the molecular weight of Benaxibine sodium?
The molecular weight of Benaxibine sodium is 614.17 g/mol.
Where can I buy Benaxibine sodium?
You can request a quote for Benaxibine sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benaxibine sodium?
Yes, KEHONG BIO provides custom synthesis services for Benaxibine sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.