![3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one structure](/static/products/6084/60848-29-5.webp)
3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one
TL;DR: 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one (CAS 60848-29-5) is a chemical compound with molecular formula C13H21ClN2O and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one
Also Known As: 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one, 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c, 3a-Chloro-2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydro-3H-cyclododeca[c]pyrazol-3-one
| Molecular Formula | C13H21ClN2O |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.13425 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 60848-29-5 |
|---|---|
| SMILES | C1CCCCCC2(C(=NNC2=O)CCCC1)Cl |
| InChIKey | NLMOUUKELCMCGQ-UHFFFAOYSA-N |
Product Overview
3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one (CAS 60848-29-5), with molecular formula C13H21ClN2O and molecular weight 256.13 g/mol. IUPAC: 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one.
Chemical Property Profile of 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one
Property Insights of 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one
The XLogP value of 4.1 indicates that 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[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, 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[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 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one?
The CAS number of 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one is 60848-29-5.
What is the molecular formula of 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one?
The molecular formula of 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one is C13H21ClN2O.
What is the molecular weight of 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one?
The molecular weight of 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one is 256.13 g/mol.
Where can I buy 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one?
You can request a quote for 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[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 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.