BAS 00411249
TL;DR: BAS 00411249 (CAS 299452-48-5) is a chemical compound with molecular formula C22H26BrNO4 and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00411249, butyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, butyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline -3-carboxylate, butyl 4-[3-bromo-4-(methyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C22H26BrNO4 |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 4.7689 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.10452 |
| Heavy Atoms | 28 |
| Complexity | 856.0928 |
Chemical Identifiers
| CAS Number | 299452-48-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CCC2)C |
Product Overview
BAS 00411249 (CAS 299452-48-5), with molecular formula C22H26BrNO4 and molecular weight 447.10 g/mol. IUPAC: butyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00411249
Property Insights of BAS 00411249
The XLogP value of 4.7689 indicates that BAS 00411249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00411249. Following Lipinski's Rule of Five, BAS 00411249 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 00411249?
The CAS number of BAS 00411249 is 299452-48-5.
What is the molecular formula of BAS 00411249?
The molecular formula of BAS 00411249 is C22H26BrNO4.
What is the molecular weight of BAS 00411249?
The molecular weight of BAS 00411249 is 447.10 g/mol.
Where can I buy BAS 00411249?
You can request a quote for BAS 00411249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411249?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.