BAS 00410704
TL;DR: BAS 00410704 (CAS 5472-58-2) is a chemical compound with molecular formula C21H24BrNO6 and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00410704, AB00086201-01, 2-methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-(methyloxy)ethyl 4-[3-bromo-4-hydroxy-5-(methyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C21H24BrNO6 |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 3.3208 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.0787 |
| Heavy Atoms | 29 |
| Complexity | 904.67755 |
Chemical Identifiers
| CAS Number | 5472-58-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCCOC |
Product Overview
BAS 00410704 (CAS 5472-58-2), with molecular formula C21H24BrNO6 and molecular weight 465.08 g/mol. IUPAC: 2-methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00410704
Property Insights of BAS 00410704
The XLogP value of 3.3208 indicates that BAS 00410704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00410704. Following Lipinski's Rule of Five, BAS 00410704 has 2 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 00410704?
The CAS number of BAS 00410704 is 5472-58-2.
What is the molecular formula of BAS 00410704?
The molecular formula of BAS 00410704 is C21H24BrNO6.
What is the molecular weight of BAS 00410704?
The molecular weight of BAS 00410704 is 465.08 g/mol.
Where can I buy BAS 00410704?
You can request a quote for BAS 00410704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410704?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.