Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-
TL;DR: Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- (CAS 104107-02-0) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one
Also Known As: 4,4a,5,6-Tetrahydro-4a-methyl-benzo(h)cinnolin-3(2H)-one, NCI60_013797, Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-, 4a-methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one, 4a-Methyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3(2H)-one
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 104107-02-0 |
|---|---|
| SMILES | CC12CCC3=CC=CC=C3C1=NNC(=O)C2 |
| InChIKey | XXPJSJVCOUWWCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- (CAS 104107-02-0), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 4a-methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one.
Chemical Property Profile of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-
Property Insights of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-. With a topological polar surface area (TPSA) of 41.5 Ų, Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- has 1 hydrogen bond donor(s) and 2 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 Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-?
The CAS number of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- is 104107-02-0.
What is the molecular formula of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-?
The molecular formula of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- is C13H14N2O.
What is the molecular weight of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-?
The molecular weight of Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- is 214.11 g/mol.
Where can I buy Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-?
You can request a quote for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.