2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
TL;DR: 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one (CAS 122855-11-2) is a chemical compound with molecular formula C14H14Cl2F2N2O2 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-dichloro-5-(difluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Also Known As: 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one, 1H-Indazol-3-one, 2-(2,4-dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-, 2-[2,4-dichloro-5-(difluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one, 2-[2,4-dichloro-5-(difluoromethoxy)phenyl]octahydro-3H-indazol-3-one
| Molecular Formula | C14H14Cl2F2N2O2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.04004 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 122855-11-2 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(N2)C3=CC(=C(C=C3Cl)Cl)OC(F)F |
| InChIKey | AIQGCZVYBGKANF-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one (CAS 122855-11-2), with molecular formula C14H14Cl2F2N2O2 and molecular weight 350.04 g/mol. IUPAC: 2-[2,4-dichloro-5-(difluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one.
Chemical Property Profile of 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Property Insights of 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
The XLogP value of 4.4 indicates that 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one has 1 hydrogen bond donor(s) and 5 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-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The CAS number of 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is 122855-11-2.
What is the molecular formula of 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The molecular formula of 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is C14H14Cl2F2N2O2.
What is the molecular weight of 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The molecular weight of 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is 350.04 g/mol.
Where can I buy 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
You can request a quote for 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-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 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichloro-5-(difluoromethoxy)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.