KST-1B8142
TL;DR: KST-1B8142 (CAS 72771-51-8) is a chemical compound with molecular formula C20H26Cl2N4O4 and molecular weight 456.13 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-(methylamino)ethylamino]anthracene-9,10-dione;dihydrochloride
Also Known As: KST-1B8142, 1,4-Dihydroxy-5,8-bis((2-(methylamino)ethyl)amino)-9,10-anthracenedione dihydrochloride, 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(methylamino)ethyl)amino)-, dihydrochloride, 1,4-dihydroxy-5,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione dihydrochloride, 1,4-Dihydroxy-5,8-bis{[2-(methylamino)ethyl]amino}anthracene-9,10-dione--hydrogen chloride (1/2)
| Molecular Formula | C20H26Cl2N4O4 |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 1.9794 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.13312 |
| Heavy Atoms | 30 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 72771-51-8 |
|---|---|
| SMILES | CNCCNC1=C2C(=C(C=C1)NCCNC)C(=O)C3=C(C=CC(=C3C2=O)O)O.Cl.Cl |
| InChIKey | GPYZNRIJXZZTGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B8142 (CAS 72771-51-8), with molecular formula C20H26Cl2N4O4 and molecular weight 456.13 g/mol. IUPAC: 1,4-dihydroxy-5,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione;dihydrochloride.
Chemical Property Profile of KST-1B8142
Property Insights of KST-1B8142
The XLogP value of 1.9794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B8142. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B8142. Following Lipinski's Rule of Five, KST-1B8142 has 8 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 KST-1B8142?
The CAS number of KST-1B8142 is 72771-51-8.
What is the molecular formula of KST-1B8142?
The molecular formula of KST-1B8142 is C20H26Cl2N4O4.
What is the molecular weight of KST-1B8142?
The molecular weight of KST-1B8142 is 456.13 g/mol.
Where can I buy KST-1B8142?
You can request a quote for KST-1B8142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B8142?
Yes, KEHONG BIO provides custom synthesis services for KST-1B8142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.