BAS 02226121
TL;DR: BAS 02226121 (CAS 494193-97-4) is a chemical compound with molecular formula C31H36BrNO7 and molecular weight 613.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 02226121, butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C31H36BrNO7 |
|---|---|
| Molecular Weight | 613.17 g/mol |
| LogP | 6.2755 |
| Topological Polar Surface Area | 103.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 613.16754 |
| Heavy Atoms | 40 |
| Complexity | 1363.6929 |
Chemical Identifiers
| CAS Number | 494193-97-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C |
Product Overview
BAS 02226121 (CAS 494193-97-4), with molecular formula C31H36BrNO7 and molecular weight 613.17 g/mol. IUPAC: butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 02226121
Property Insights of BAS 02226121
The XLogP value of 6.2755 indicates that BAS 02226121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02226121. Following Lipinski's Rule of Five, BAS 02226121 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02226121?
The CAS number of BAS 02226121 is 494193-97-4.
What is the molecular formula of BAS 02226121?
The molecular formula of BAS 02226121 is C31H36BrNO7.
What is the molecular weight of BAS 02226121?
The molecular weight of BAS 02226121 is 613.17 g/mol.
Where can I buy BAS 02226121?
You can request a quote for BAS 02226121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02226121?
Yes, KEHONG BIO provides custom synthesis services for BAS 02226121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.