![2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one structure](/static/products/6365/63658-01-5.webp)
2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one
TL;DR: 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one (CAS 63658-01-5) is a chemical compound with molecular formula C13H22N2O and molecular weight 222.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one
Also Known As: 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one, 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazo, 2,3a,4,5,6,7,8,9,10,11,12,13-Dodecahydro-3H-cyclododeca[c]pyrazol-3-one, RefChem:357319
| Molecular Formula | C13H22N2O |
|---|---|
| Molecular Weight | 222.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.17322 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 63658-01-5 |
|---|---|
| SMILES | C1CCCCCC2=NNC(=O)C2CCCC1 |
| InChIKey | MPDSCXNEHMWFIN-UHFFFAOYSA-N |
Product Overview
2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one (CAS 63658-01-5), with molecular formula C13H22N2O and molecular weight 222.17 g/mol. IUPAC: 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one.
Chemical Property Profile of 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one
Property Insights of 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one
The XLogP value of 3.8 indicates that 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one 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 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one?
The CAS number of 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one is 63658-01-5.
What is the molecular formula of 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one?
The molecular formula of 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one is C13H22N2O.
What is the molecular weight of 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one?
The molecular weight of 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one is 222.17 g/mol.
Where can I buy 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one?
You can request a quote for 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.