3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-
TL;DR: 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- (CAS 16104-45-3) is a chemical compound with molecular formula C7H8N2 and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9-diazatetracyclo[4.3.0.02,4.03,7]non-8-ene
Also Known As: 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-, 8,9-diazatetracyclo[4.3.0.02,4.03,7]non-8-ene, 3,5,6-Methenocyclopentapyrazole,3,3a,4,5,6,6a-hexahydro-, 6,7-Diazaquadricyclo<3.2.1.13,8.02,4>non-2-en, 3,3a,4,5,6,6a-Hexahydro-3,5,6-(methanetriyl)cyclopenta[c]pyrazole
| Molecular Formula | C7H8N2 |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.06875 |
| Heavy Atoms | 9 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 16104-45-3 |
|---|---|
| SMILES | C1C2C3C2C4C1C3N=N4 |
| InChIKey | IPVMGBDNRQJFBO-UHFFFAOYSA-N |
Product Overview
3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- (CAS 16104-45-3), with molecular formula C7H8N2 and molecular weight 120.07 g/mol. IUPAC: 8,9-diazatetracyclo[4.3.0.02,4.03,7]non-8-ene.
Chemical Property Profile of 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-
Property Insights of 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-. With a topological polar surface area (TPSA) of 24.7 Ų, 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- has 0 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 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-?
The CAS number of 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- is 16104-45-3.
What is the molecular formula of 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-?
The molecular formula of 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- is C7H8N2.
What is the molecular weight of 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-?
The molecular weight of 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- is 120.07 g/mol.
Where can I buy 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-?
You can request a quote for 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6-Methenocyclopentapyrazole, 3,3a,4,5,6,6a-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.