BAS 00410959
TL;DR: BAS 00410959 (CAS 5476-20-0) is a chemical compound with molecular formula C25H33NO6 and molecular weight 443.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00410959, pentyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-Ethylthio-5-methylamino-1,3,4-thiadiazol, pentyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, pentyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,7,8-pentahydroquinoline -3-carboxylate
| Molecular Formula | C25H33NO6 |
|---|---|
| Molecular Weight | 443.23 g/mol |
| LogP | 4.4137 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.23077 |
| Heavy Atoms | 32 |
| Complexity | 945.99567 |
Chemical Identifiers
| CAS Number | 5476-20-0 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CCC2)C |
Product Overview
BAS 00410959 (CAS 5476-20-0), with molecular formula C25H33NO6 and molecular weight 443.23 g/mol. IUPAC: pentyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00410959
Property Insights of BAS 00410959
The XLogP value of 4.4137 indicates that BAS 00410959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00410959. Following Lipinski's Rule of Five, BAS 00410959 has 1 hydrogen bond donor(s) and 7 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 00410959?
The CAS number of BAS 00410959 is 5476-20-0.
What is the molecular formula of BAS 00410959?
The molecular formula of BAS 00410959 is C25H33NO6.
What is the molecular weight of BAS 00410959?
The molecular weight of BAS 00410959 is 443.23 g/mol.
Where can I buy BAS 00410959?
You can request a quote for BAS 00410959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410959?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.