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5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one
TL;DR: 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one (CAS 664967-24-2) is a chemical compound with molecular formula C21H18N2O2 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one
Also Known As: 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6(1H)-one, 5-benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one, AJ-077/33272018, PYRANO[2,3-C]PYRAZOL-6(1H)-ONE,3,4-DIMETHYL-1-PHENYL-5-(PHENYLMETHYL)-, 3-benzyl-2,9-dimethyl-7-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-2,8,10-trien-4-one
| Molecular Formula | C21H18N2O2 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 4.18634 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.13684 |
| Heavy Atoms | 25 |
| Complexity | 1093.6565 |
Chemical Identifiers
| CAS Number | 664967-24-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C(=NN2C3=CC=CC=C3)C)CC4=CC=CC=C4 |
Product Overview
5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one (CAS 664967-24-2), with molecular formula C21H18N2O2 and molecular weight 330.14 g/mol. IUPAC: 5-benzyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one.
Chemical Property Profile of 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one
Property Insights of 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one
The XLogP value of 4.18634 indicates that 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.03 Ų, 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one 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 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one?
The CAS number of 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one is 664967-24-2.
What is the molecular formula of 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one?
The molecular formula of 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one is C21H18N2O2.
What is the molecular weight of 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one?
The molecular weight of 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one is 330.14 g/mol.
Where can I buy 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one?
You can request a quote for 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.