1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone
TL;DR: 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone (CAS 83391-21-3) is a chemical compound with molecular formula C22H21ClN2O and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-chloroethanone
Also Known As: 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone, 1-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-chloro-ethanone, 1-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-chloroethanone, 2-chloro-1-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone, C22H21ClN2O
| Molecular Formula | C22H21ClN2O |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 5.0484 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.13425 |
| Heavy Atoms | 26 |
| Complexity | 844.9607 |
Chemical Identifiers
| CAS Number | 83391-21-3 |
|---|---|
| SMILES | C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)CCl)C4=CC=CC=C4 |
Product Overview
1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone (CAS 83391-21-3), with molecular formula C22H21ClN2O and molecular weight 364.13 g/mol. IUPAC: 1-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-chloroethanone.
Chemical Property Profile of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone
Property Insights of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone
The XLogP value of 5.0484 indicates that 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone?
The CAS number of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone is 83391-21-3.
What is the molecular formula of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone?
The molecular formula of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone is C22H21ClN2O.
What is the molecular weight of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone?
The molecular weight of 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone is 364.13 g/mol.
Where can I buy 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone?
You can request a quote for 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-chloro-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.