ChemDiv1_003834
TL;DR: ChemDiv1_003834 (CAS 345237-47-0) is a chemical compound with molecular formula C32H37NO7 and molecular weight 547.26 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-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003834, butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxy-4-{7-(4-methoxyphenyl)-2-methyl-3-[(methylpropyl)oxycarbonyl]-5-oxo(4 -1,4,6,7,8-pentahydroquinolyl)}phenyl acetate, butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, sec-butyl 4-(4-acetoxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C32H37NO7 |
|---|---|
| Molecular Weight | 547.26 g/mol |
| LogP | 5.7225 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.257 |
| Heavy Atoms | 40 |
| Complexity | 1355.819 |
Chemical Identifiers
| CAS Number | 345237-47-0 |
|---|---|
| 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)OC)C |
Product Overview
ChemDiv1_003834 (CAS 345237-47-0), with molecular formula C32H37NO7 and molecular weight 547.26 g/mol. IUPAC: butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003834
Property Insights of ChemDiv1_003834
The XLogP value of 5.7225 indicates that ChemDiv1_003834 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003834. Following Lipinski's Rule of Five, ChemDiv1_003834 has 1 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 ChemDiv1_003834?
The CAS number of ChemDiv1_003834 is 345237-47-0.
What is the molecular formula of ChemDiv1_003834?
The molecular formula of ChemDiv1_003834 is C32H37NO7.
What is the molecular weight of ChemDiv1_003834?
The molecular weight of ChemDiv1_003834 is 547.26 g/mol.
Where can I buy ChemDiv1_003834?
You can request a quote for ChemDiv1_003834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003834?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.