ChemDiv1_002398
TL;DR: ChemDiv1_002398 (CAS 351194-64-4) is a chemical compound with molecular formula C30H33NO6 and molecular weight 503.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-(4-acetyloxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002398, BAS 01052070, butan-2-yl 4-[4-(acetyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butan-2-yl 4-(4-acetyloxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, sec-butyl 4-[4-(acetyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C30H33NO6 |
|---|---|
| Molecular Weight | 503.23 g/mol |
| LogP | 5.3238 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.23077 |
| Heavy Atoms | 37 |
| Complexity | 1255.9817 |
Chemical Identifiers
| CAS Number | 351194-64-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)C4=CC=C(C=C4)OC)C |
Product Overview
ChemDiv1_002398 (CAS 351194-64-4), with molecular formula C30H33NO6 and molecular weight 503.23 g/mol. IUPAC: butan-2-yl 4-(4-acetyloxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002398
Property Insights of ChemDiv1_002398
The XLogP value of 5.3238 indicates that ChemDiv1_002398 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 ChemDiv1_002398. Following Lipinski's Rule of Five, ChemDiv1_002398 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 ChemDiv1_002398?
The CAS number of ChemDiv1_002398 is 351194-64-4.
What is the molecular formula of ChemDiv1_002398?
The molecular formula of ChemDiv1_002398 is C30H33NO6.
What is the molecular weight of ChemDiv1_002398?
The molecular weight of ChemDiv1_002398 is 503.23 g/mol.
Where can I buy ChemDiv1_002398?
You can request a quote for ChemDiv1_002398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002398?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.