![butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate structure](/static/products/3449/344957-22-8.webp)
butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 344957-22-8) is a chemical compound with molecular formula C31H34ClNO6 and molecular weight 551.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-{7-(4-chlorophenyl)-2-methyl-3-[(methylpropyl)oxycarbonyl]-5-oxo(4-1,4,6,7,8 -pentahydroquinolyl)}-2-ethoxyphenyl acetate, butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, sec-butyl 4-(4-acetoxy-3-ethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, sec-butyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C31H34ClNO6 |
|---|---|
| Molecular Weight | 551.21 g/mol |
| LogP | 6.3673 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.20746 |
| Heavy Atoms | 39 |
| Complexity | 1343.3479 |
Chemical Identifiers
| CAS Number | 344957-22-8 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OCC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C |
Product Overview
butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 344957-22-8), with molecular formula C31H34ClNO6 and molecular weight 551.21 g/mol. IUPAC: butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 6.3673 indicates that butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 344957-22-8.
What is the molecular formula of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C31H34ClNO6.
What is the molecular weight of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 551.21 g/mol.
Where can I buy butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.