ChemDiv3_000704
TL;DR: ChemDiv3_000704 (CAS 292853-22-6) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv3_000704, BAS 00380986, methyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, BRD-A78345667-001-01-5, F0265-0254
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.8586 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 760.0764 |
Chemical Identifiers
| CAS Number | 292853-22-6 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)OC |
Product Overview
ChemDiv3_000704 (CAS 292853-22-6), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: methyl 2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv3_000704
Property Insights of ChemDiv3_000704
The XLogP value of 2.8586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_000704. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000704. Following Lipinski's Rule of Five, ChemDiv3_000704 has 1 hydrogen bond donor(s) and 5 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 ChemDiv3_000704?
The CAS number of ChemDiv3_000704 is 292853-22-6.
What is the molecular formula of ChemDiv3_000704?
The molecular formula of ChemDiv3_000704 is C19H22N2O3.
What is the molecular weight of ChemDiv3_000704?
The molecular weight of ChemDiv3_000704 is 326.16 g/mol.
Where can I buy ChemDiv3_000704?
You can request a quote for ChemDiv3_000704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000704?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.