巴兹林C
TL;DR: 巴兹林C (CAS 123064-91-5) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴兹林C
9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
Also Known As: Batzelline C, chloro(methyl)[?]dione, Pyrrolo(4,3,2-de)quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-1-methyl-, 9-chloro-2-methyl-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-
| Molecular Formula | C11H9ClN2O2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.03525 |
| Heavy Atoms | 16 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 123064-91-5 |
|---|---|
| SMILES | CN1C=C2CCNC3=C(C(=O)C(=O)C1=C23)Cl |
| InChIKey | PDESZTFOYLDOBQ-UHFFFAOYSA-N |
Product Overview
巴兹林C (CAS 123064-91-5), with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol. IUPAC: 9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione.
Chemical Property Profile of 巴兹林C
Property Insights of 巴兹林C
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巴兹林C. With a topological polar surface area (TPSA) of 51.1 Ų, 巴兹林C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巴兹林C has 1 hydrogen bond donor(s) and 3 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 巴兹林C?
The CAS number of 巴兹林C is 123064-91-5.
What is the molecular formula of 巴兹林C?
The molecular formula of 巴兹林C is C11H9ClN2O2.
What is the molecular weight of 巴兹林C?
The molecular weight of 巴兹林C is 236.04 g/mol.
Where can I buy 巴兹林C?
You can request a quote for 巴兹林C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴兹林C?
Yes, KEHONG BIO provides custom synthesis services for 巴兹林C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.