![1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One structure](/static/products/7887/78873-74-2.webp)
1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One
TL;DR: 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One (CAS 78873-74-2) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2H-isochromeno[3,4-c]pyrazol-5-one
Also Known As: 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One, 1-methyl-2H-isochromeno[3,4-c]pyrazol-5-one, 1-Methyl[2]benzopyrano[3,4-c]pyrazol-5(2H)-one, 6BL
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.05858 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 78873-74-2 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3C(=O)OC2=NN1 |
| InChIKey | UNIATRJVNFDJDH-UHFFFAOYSA-N |
Product Overview
1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One (CAS 78873-74-2), with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol. IUPAC: 1-methyl-2H-isochromeno[3,4-c]pyrazol-5-one.
Chemical Property Profile of 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One
Property Insights of 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One. With a topological polar surface area (TPSA) of 55.0 Ų, 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One has 1 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 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One?
The CAS number of 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One is 78873-74-2.
What is the molecular formula of 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One?
The molecular formula of 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One is C11H8N2O2.
What is the molecular weight of 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One?
The molecular weight of 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One is 200.06 g/mol.
Where can I buy 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One?
You can request a quote for 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.