BAS 00381687
TL;DR: BAS 00381687 (CAS 126342-58-3) 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-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00381687, AE-842/34231001, methyl 2,7,7-trimethyl-5-oxo-4-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 2,7,7-trimethyl-5-oxo-4-(2-pyridyl)-1,4,6,7,8-pentahydroquinoline-3-car boxylate
| 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 | 126342-58-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=N3)C(=O)OC |
Product Overview
BAS 00381687 (CAS 126342-58-3), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: methyl 2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00381687
Property Insights of BAS 00381687
The XLogP value of 2.8586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00381687. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00381687. Following Lipinski's Rule of Five, BAS 00381687 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 BAS 00381687?
The CAS number of BAS 00381687 is 126342-58-3.
What is the molecular formula of BAS 00381687?
The molecular formula of BAS 00381687 is C19H22N2O3.
What is the molecular weight of BAS 00381687?
The molecular weight of BAS 00381687 is 326.16 g/mol.
Where can I buy BAS 00381687?
You can request a quote for BAS 00381687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381687?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.