2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 329265-68-1) is a chemical compound with molecular formula C31H27N3O2 and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile, 3-(4-methoxyphenyl)-2-[3-phenyl-7-(phenylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbonyl]prop-2-enenitrile
| Molecular Formula | C31H27N3O2 |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 6.42538 |
| Topological Polar Surface Area | 65.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.21033 |
| Heavy Atoms | 36 |
| Complexity | 1366.8279 |
Chemical Identifiers
| CAS Number | 329265-68-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C(C#N)C(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5 |
Product Overview
2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 329265-68-1), with molecular formula C31H27N3O2 and molecular weight 473.21 g/mol. IUPAC: 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 6.42538 indicates that 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile is 329265-68-1.
What is the molecular formula of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile is C31H27N3O2.
What is the molecular weight of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile is 473.21 g/mol.
Where can I buy 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.