ChemDiv1_018144
TL;DR: ChemDiv1_018144 (CAS 347320-57-4) 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.
2-phenylethyl 4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_018144, 2-phenylethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-Phenylethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate, 2-methoxy-4-{2,7,7-trimethyl-5-oxo-3-[(2-phenylethyl)oxycarbonyl](4-1,4,6,7,8- pentahydroquinolyl)}phenyl acetate, 2-Phenylethyl 4-(4-(acetyloxy)-3-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate
| Molecular Formula | C30H33NO6 |
|---|---|
| Molecular Weight | 503.23 g/mol |
| LogP | 5.0104 |
| 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 | 1288.4048 |
Chemical Identifiers
| CAS Number | 347320-57-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)OCCC4=CC=CC=C4 |
Product Overview
ChemDiv1_018144 (CAS 347320-57-4), with molecular formula C30H33NO6 and molecular weight 503.23 g/mol. IUPAC: 2-phenylethyl 4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018144
Property Insights of ChemDiv1_018144
The XLogP value of 5.0104 indicates that ChemDiv1_018144 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_018144. Following Lipinski's Rule of Five, ChemDiv1_018144 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_018144?
The CAS number of ChemDiv1_018144 is 347320-57-4.
What is the molecular formula of ChemDiv1_018144?
The molecular formula of ChemDiv1_018144 is C30H33NO6.
What is the molecular weight of ChemDiv1_018144?
The molecular weight of ChemDiv1_018144 is 503.23 g/mol.
Where can I buy ChemDiv1_018144?
You can request a quote for ChemDiv1_018144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018144?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.