3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one
TL;DR: 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one (CAS 19577-80-1) is a chemical compound with molecular formula C7H9ClN2O and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a-chloro-4,5,6,7-tetrahydro-2H-indazol-3-one
Also Known As: 3a-chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one, 3a-chloro-4,5,6,7-tetrahydro-2H-indazol-3-one
| Molecular Formula | C7H9ClN2O |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.04034 |
| Heavy Atoms | 11 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 19577-80-1 |
|---|---|
| SMILES | C1CCC2(C(=NNC2=O)C1)Cl |
| InChIKey | RZKHLHCNZSTOLV-UHFFFAOYSA-N |
Product Overview
3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one (CAS 19577-80-1), with molecular formula C7H9ClN2O and molecular weight 172.04 g/mol. IUPAC: 3a-chloro-4,5,6,7-tetrahydro-2H-indazol-3-one.
Chemical Property Profile of 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one
Property Insights of 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one. With a topological polar surface area (TPSA) of 41.5 Ų, 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-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-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one?
The CAS number of 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one is 19577-80-1.
What is the molecular formula of 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one?
The molecular formula of 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one is C7H9ClN2O.
What is the molecular weight of 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one?
The molecular weight of 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one is 172.04 g/mol.
Where can I buy 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one?
You can request a quote for 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-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-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 3a-Chloro-2,3a,4,5,6,7-hexahydro-3h-indazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.