ChemDiv1_003289
TL;DR: ChemDiv1_003289 (CAS 5859-90-5) is a chemical compound with molecular formula C29H33NO7 and molecular weight 507.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_003289, BAS 01404537, 2-phenoxyethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, A2233/0093983, 2-phenoxyethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C29H33NO7 |
|---|---|
| Molecular Weight | 507.23 g/mol |
| LogP | 4.6356 |
| Topological Polar Surface Area | 103.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.2257 |
| Heavy Atoms | 37 |
| Complexity | 1235.2664 |
Chemical Identifiers
| CAS Number | 5859-90-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)O)OC)C(=O)OCCOC4=CC=CC=C4 |
Product Overview
ChemDiv1_003289 (CAS 5859-90-5), with molecular formula C29H33NO7 and molecular weight 507.23 g/mol. IUPAC: 2-phenoxyethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003289
Property Insights of ChemDiv1_003289
The XLogP value of 4.6356 indicates that ChemDiv1_003289 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 ChemDiv1_003289. Following Lipinski's Rule of Five, ChemDiv1_003289 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 ChemDiv1_003289?
The CAS number of ChemDiv1_003289 is 5859-90-5.
What is the molecular formula of ChemDiv1_003289?
The molecular formula of ChemDiv1_003289 is C29H33NO7.
What is the molecular weight of ChemDiv1_003289?
The molecular weight of ChemDiv1_003289 is 507.23 g/mol.
Where can I buy ChemDiv1_003289?
You can request a quote for ChemDiv1_003289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003289?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.