Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-
TL;DR: Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- (CAS 78431-43-3) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5S,6R)-12-methoxy-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraen-4-yl]ethanone
Also Known As: Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-, cis-2,3,3a,4,5,6-Hexahydro-2-acetyl-8-methoxy-3-phenylbenzo(6,7)cyclohepta(1,2-c)pyrazole, 1-[(3S,3aR)-8-Methoxy-3-phenyl-3a,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-2(3H)-yl]ethan-1-one
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 3.9552 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 829.0446 |
Chemical Identifiers
| CAS Number | 78431-43-3 |
|---|---|
| SMILES | CC(=O)N1[C@@H]([C@H]2CCCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=CC=C4 |
Product Overview
Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- (CAS 78431-43-3), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 1-[(5S,6R)-12-methoxy-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraen-4-yl]ethanone.
Chemical Property Profile of Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-
Property Insights of Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-
The XLogP value of 3.9552 indicates that Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- has 0 hydrogen bond donor(s) and 3 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 Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-?
The CAS number of Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- is 78431-43-3.
What is the molecular formula of Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-?
The molecular formula of Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- is C21H22N2O2.
What is the molecular weight of Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-?
The molecular weight of Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- is 334.17 g/mol.
Where can I buy Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-?
You can request a quote for Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(6,7)cyclohepta(1,2-c)pyrazole, 2,3,3a,4,5,6-hexahydro-2-acetyl-8-methoxy-3-phenyl-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.