3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one
TL;DR: 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one (CAS 51940-72-8) is a chemical compound with molecular formula C11H16N2O and molecular weight 192.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,7-trimethyl-1,4,6,8-tetrahydrocinnolin-5-one
Also Known As: 3,7,7-trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one, 3,7,7-trimethyl-1,4,6,8-tetrahydrocinnolin-5-one, 3,7,7-TRIMETHYL-1,4,6,7,8-PENTAHYDROCINNOLIN-5-ONE, 5(1H)-Cinnolinone, 4,6,7,8-tetrahydro-3,7,7-trimethyl-
| Molecular Formula | C11H16N2O |
|---|---|
| Molecular Weight | 192.13 g/mol |
| LogP | 1.9988 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.12627 |
| Heavy Atoms | 14 |
| Complexity | 350.29904 |
Chemical Identifiers
| CAS Number | 51940-72-8 |
|---|---|
| SMILES | CC1=NNC2=C(C1)C(=O)CC(C2)(C)C |
Product Overview
3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one (CAS 51940-72-8), with molecular formula C11H16N2O and molecular weight 192.13 g/mol. IUPAC: 3,7,7-trimethyl-1,4,6,8-tetrahydrocinnolin-5-one.
Chemical Property Profile of 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one
Property Insights of 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one
The XLogP value of 1.9988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one. With a topological polar surface area (TPSA) of 41.46 Ų, 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one 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 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one?
The CAS number of 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one is 51940-72-8.
What is the molecular formula of 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one?
The molecular formula of 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one is C11H16N2O.
What is the molecular weight of 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one?
The molecular weight of 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one is 192.13 g/mol.
Where can I buy 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one?
You can request a quote for 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7,7-Trimethyl-1,4,5,6,7,8-hexahydrocinnolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.