ChemDiv1_002895
TL;DR: ChemDiv1_002895 (CAS 312586-15-5) is a chemical compound with molecular formula C30H35NO7 and molecular weight 521.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_002895, BAS 01404211, 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate, 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C30H35NO7 |
|---|---|
| Molecular Weight | 521.24 g/mol |
| LogP | 4.9386 |
| Topological Polar Surface Area | 92.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.24133 |
| Heavy Atoms | 38 |
| Complexity | 1277.0066 |
Chemical Identifiers
| CAS Number | 312586-15-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)OCCOC4=CC=CC=C4 |
Product Overview
ChemDiv1_002895 (CAS 312586-15-5), with molecular formula C30H35NO7 and molecular weight 521.24 g/mol. IUPAC: 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002895
Property Insights of ChemDiv1_002895
The XLogP value of 4.9386 indicates that ChemDiv1_002895 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002895. Following Lipinski's Rule of Five, ChemDiv1_002895 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_002895?
The CAS number of ChemDiv1_002895 is 312586-15-5.
What is the molecular formula of ChemDiv1_002895?
The molecular formula of ChemDiv1_002895 is C30H35NO7.
What is the molecular weight of ChemDiv1_002895?
The molecular weight of ChemDiv1_002895 is 521.24 g/mol.
Where can I buy ChemDiv1_002895?
You can request a quote for ChemDiv1_002895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002895?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.