1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole
TL;DR: 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole (CAS 28749-00-0) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
Also Known As: 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole, 3-phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole, 3-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole, 3-phenyl-4,5-trimethylenepyrazole, J3.653.989E
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 28749-00-0 |
|---|---|
| SMILES | C1CC2=C(C1)NN=C2C3=CC=CC=C3 |
| InChIKey | VHFKRPJDQQZAOP-UHFFFAOYSA-N |
Product Overview
1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole (CAS 28749-00-0), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 3-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
Chemical Property Profile of 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole
Property Insights of 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole has 1 hydrogen bond donor(s) and 1 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 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole?
The CAS number of 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole is 28749-00-0.
What is the molecular formula of 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole?
The molecular formula of 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole is C12H12N2.
What is the molecular weight of 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole?
The molecular weight of 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole is 184.10 g/mol.
Where can I buy 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole?
You can request a quote for 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.