A3489/0147917
TL;DR: A3489/0147917 (CAS 1005261-70-0) is a chemical compound with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-methyl-5-oxo-4-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: A3489/0147917, dimethyl 2-methyl-5-oxo-4-(pyridin-2-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, DIMETHYL 2-METHYL-5-OXO-4-(2-PYRIDYL)-7-(2-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3,6-QUINOLINEDICARBOXYLATE, dimethyl 2-methyl-5-oxo-4-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
| Molecular Formula | C23H22N2O5S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 3.0768 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.12494 |
| Heavy Atoms | 31 |
| Complexity | 1088.4348 |
Chemical Identifiers
| CAS Number | 1005261-70-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CC=CC=N4)C(=O)OC |
Product Overview
A3489/0147917 (CAS 1005261-70-0), with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol. IUPAC: dimethyl 2-methyl-5-oxo-4-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of A3489/0147917
Property Insights of A3489/0147917
The XLogP value of 3.0768 indicates that A3489/0147917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A3489/0147917. Following Lipinski's Rule of Five, A3489/0147917 has 1 hydrogen bond donor(s) and 8 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 A3489/0147917?
The CAS number of A3489/0147917 is 1005261-70-0.
What is the molecular formula of A3489/0147917?
The molecular formula of A3489/0147917 is C23H22N2O5S.
What is the molecular weight of A3489/0147917?
The molecular weight of A3489/0147917 is 438.12 g/mol.
Where can I buy A3489/0147917?
You can request a quote for A3489/0147917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3489/0147917?
Yes, KEHONG BIO provides custom synthesis services for A3489/0147917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.