Batzelline A
TL;DR: Batzelline A (CAS 123064-89-1) is a chemical compound with molecular formula C12H11ClN2O2S and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
Also Known As: Batzelline A, 6-Chloro-1,3,4,5-tetrahydro-1-methyl-2-methylthiopyrrolo[4,3,2-de]quinoline-7,8-dione, 6-Chloro-1-methyl-2-(methylsulfanyl)-1,3,4,5-tetrahydropyrrolo[4,3,2-de]quinoline-7,8-dione, 9-chloro-2-methyl-3-(methylsulfanyl)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione, Pyrrolo(4,3,2-de)quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-1-methyl-2-(methylthio)-
| Molecular Formula | C12H11ClN2O2S |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.02298 |
| Heavy Atoms | 18 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 123064-89-1 |
|---|---|
| SMILES | CN1C2=C3C(=C1SC)CCNC3=C(C(=O)C2=O)Cl |
| InChIKey | HKTWRGLIRIBFJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Batzelline A (CAS 123064-89-1), with molecular formula C12H11ClN2O2S and molecular weight 282.02 g/mol. IUPAC: 9-chloro-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione.
Chemical Property Profile of Batzelline A
Property Insights of Batzelline A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Batzelline A. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Batzelline A. Following Lipinski's Rule of Five, Batzelline A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Batzelline A?
The CAS number of Batzelline A is 123064-89-1.
What is the molecular formula of Batzelline A?
The molecular formula of Batzelline A is C12H11ClN2O2S.
What is the molecular weight of Batzelline A?
The molecular weight of Batzelline A is 282.02 g/mol.
Where can I buy Batzelline A?
You can request a quote for Batzelline A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batzelline A?
Yes, KEHONG BIO provides custom synthesis services for Batzelline A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.