异巴茨林C
TL;DR: 异巴茨林C (CAS 133401-03-3) is a chemical compound with molecular formula C11H10ClN3O and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异巴茨林C
10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
Also Known As: Isobatzelline C, amino-chloro-methyl-[?]one, Pyrrolo(4,3,2-de)quinolin-8(1H)-one, 7-amino-6-chloro-3,4-dihydro-1-methyl-, Pyrrolo[4,3,2-de]quinolin-8(1H)-one, 7-amino-6-chloro-3,4-dihydro-1-methyl-, 10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
| Molecular Formula | C11H10ClN3O |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.05124 |
| Heavy Atoms | 16 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 133401-03-3 |
|---|---|
| SMILES | CN1C=C2CCN=C3C2=C1C(=O)C(=C3Cl)N |
| InChIKey | QNUUYJZICNRMSA-UHFFFAOYSA-N |
Product Overview
异巴茨林C (CAS 133401-03-3), with molecular formula C11H10ClN3O and molecular weight 235.05 g/mol. IUPAC: 10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one.
Chemical Property Profile of 异巴茨林C
Property Insights of 异巴茨林C
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异巴茨林C. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 异巴茨林C. Following Lipinski's Rule of Five, Isobatzelline 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 Isobatzelline C?
The CAS number of Isobatzelline C is 133401-03-3.
What is the molecular formula of Isobatzelline C?
The molecular formula of Isobatzelline C is C11H10ClN3O.
What is the molecular weight of Isobatzelline C?
The molecular weight of Isobatzelline C is 235.05 g/mol.
Where can I buy Isobatzelline C?
You can request a quote for Isobatzelline C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobatzelline C?
Yes, KEHONG BIO provides custom synthesis services for Isobatzelline C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.