ChemDiv1_021723
TL;DR: ChemDiv1_021723 (CAS 123990-47-6) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2-oxo-5,8-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile
Also Known As: ChemDiv1_021723, 7,7-Dimethyl-2-oxo-1,5,7,8-tetrahydro-2H-pyrano[4,3-b]pyridine-3-carbonitrile, BAS 00404423, BIM-0028880.P001, 7,7-dimethyl-2-oxo-5,8-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 123990-47-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C=C(C(=O)N2)C#N)C |
| InChIKey | WIOGEJFYWIFDCQ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_021723 (CAS 123990-47-6), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 7,7-dimethyl-2-oxo-5,8-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_021723
Property Insights of ChemDiv1_021723
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021723. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021723. Following Lipinski's Rule of Five, ChemDiv1_021723 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 ChemDiv1_021723?
The CAS number of ChemDiv1_021723 is 123990-47-6.
What is the molecular formula of ChemDiv1_021723?
The molecular formula of ChemDiv1_021723 is C11H12N2O2.
What is the molecular weight of ChemDiv1_021723?
The molecular weight of ChemDiv1_021723 is 204.09 g/mol.
Where can I buy ChemDiv1_021723?
You can request a quote for ChemDiv1_021723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021723?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.