BAS 00410958
TL;DR: BAS 00410958 (CAS 5405-37-8) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00410958, ethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, Stigmast-22-en-3-ol,acetate, (3b,5a,22E)- (9CI), ethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, ethyl4- -2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.9232 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 760.3852 |
Chemical Identifiers
| CAS Number | 5405-37-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CCC2)C |
Product Overview
BAS 00410958 (CAS 5405-37-8), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: ethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00410958
Property Insights of BAS 00410958
The XLogP value of 2.9232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00410958. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00410958. Following Lipinski's Rule of Five, BAS 00410958 has 2 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 00410958?
The CAS number of BAS 00410958 is 5405-37-8.
What is the molecular formula of BAS 00410958?
The molecular formula of BAS 00410958 is C19H21NO4.
What is the molecular weight of BAS 00410958?
The molecular weight of BAS 00410958 is 327.15 g/mol.
Where can I buy BAS 00410958?
You can request a quote for BAS 00410958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410958?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.