ChemDiv1_023277
TL;DR: ChemDiv1_023277 (CAS 296247-05-7) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,6-dimethyl-3-phenyl-3,3a,4,7-tetrahydropyrano[4,3-c]pyrazol-2-yl)ethanone
Also Known As: ChemDiv1_023277, BAS 02141786, BIM-0013793.P001, 1-(6,6-dimethyl-3-phenyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl)ethanone, A1980/0083291
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 296247-05-7 |
|---|---|
| SMILES | CC(=O)N1C(C2COC(CC2=N1)(C)C)C3=CC=CC=C3 |
| InChIKey | QLLDOMZBHXIMGG-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023277 (CAS 296247-05-7), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 1-(6,6-dimethyl-3-phenyl-3,3a,4,7-tetrahydropyrano[4,3-c]pyrazol-2-yl)ethanone.
Chemical Property Profile of ChemDiv1_023277
Property Insights of ChemDiv1_023277
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023277. With a topological polar surface area (TPSA) of 41.9 Ų, ChemDiv1_023277 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023277 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 ChemDiv1_023277?
The CAS number of ChemDiv1_023277 is 296247-05-7.
What is the molecular formula of ChemDiv1_023277?
The molecular formula of ChemDiv1_023277 is C16H20N2O2.
What is the molecular weight of ChemDiv1_023277?
The molecular weight of ChemDiv1_023277 is 272.15 g/mol.
Where can I buy ChemDiv1_023277?
You can request a quote for ChemDiv1_023277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023277?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.