![1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one structure](/static/products/876/87634-21-7.png)
1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one
TL;DR: 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one (CAS 87634-21-7) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
Also Known As: 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one, 4,6-Dimethyl-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 87634-21-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)C3=CC=CC=C3C=C2)C |
| InChIKey | LRUJLVSKQIBTNY-UHFFFAOYSA-N |
Product Overview
1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one (CAS 87634-21-7), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 4,6-dimethyl-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one.
Chemical Property Profile of 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one
Property Insights of 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one. With a topological polar surface area (TPSA) of 34.9 Ų, 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one has 0 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 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one?
The CAS number of 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one is 87634-21-7.
What is the molecular formula of 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one?
The molecular formula of 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one is C14H12N2O.
What is the molecular weight of 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one?
The molecular weight of 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one is 224.09 g/mol.
Where can I buy 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one?
You can request a quote for 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylbenzo[4,5]cyclohepta[1,2-c]pyrazol-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.