6-Chloroindazolelucanthone
TL;DR: 6-Chloroindazolelucanthone (CAS 49604-87-7) is a chemical compound with molecular formula C20H22ClN3S and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-diethylethanamine
Also Known As: 6-Chloroindazolelucanthone, IA 3, 2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-diethylethanamine, 8-Chloro-5-methyl-N,N-diethyl-2H-[1]benzothiopyrano[4,3,2-cd]indazole-2-ethan-1-amine, (2-{5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl}ethyl)diethylamine
| Molecular Formula | C20H22ClN3S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.12228 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 49604-87-7 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C3C(=C(C=C2)C)SC4=C(C3=N1)C=CC(=C4)Cl |
| InChIKey | NGZVEPBBEAOJNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloroindazolelucanthone (CAS 49604-87-7), with molecular formula C20H22ClN3S and molecular weight 371.12 g/mol. IUPAC: 2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-diethylethanamine.
Chemical Property Profile of 6-Chloroindazolelucanthone
Property Insights of 6-Chloroindazolelucanthone
The XLogP value of 5.1 indicates that 6-Chloroindazolelucanthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, 6-Chloroindazolelucanthone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloroindazolelucanthone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chloroindazolelucanthone?
The CAS number of 6-Chloroindazolelucanthone is 49604-87-7.
What is the molecular formula of 6-Chloroindazolelucanthone?
The molecular formula of 6-Chloroindazolelucanthone is C20H22ClN3S.
What is the molecular weight of 6-Chloroindazolelucanthone?
The molecular weight of 6-Chloroindazolelucanthone is 371.12 g/mol.
Where can I buy 6-Chloroindazolelucanthone?
You can request a quote for 6-Chloroindazolelucanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloroindazolelucanthone?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloroindazolelucanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.