ChemDiv1_006516
TL;DR: ChemDiv1_006516 (CAS 347352-69-6) is a chemical compound with molecular formula C31H31NO5 and molecular weight 497.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_006516, BAS 02841884, A2380/0100650, 2-phenylethyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-PHENYLETHYL 2,7,7-TRIMETHYL-4-(6-METHYL-4-OXOCHROMEN-3-YL)-5-OXO-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C31H31NO5 |
|---|---|
| Molecular Weight | 497.22 g/mol |
| LogP | 5.49132 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.2202 |
| Heavy Atoms | 37 |
| Complexity | 1524.1887 |
Chemical Identifiers
| CAS Number | 347352-69-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OCCC5=CC=CC=C5)C |
Product Overview
ChemDiv1_006516 (CAS 347352-69-6), with molecular formula C31H31NO5 and molecular weight 497.22 g/mol. IUPAC: 2-phenylethyl 2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_006516
Property Insights of ChemDiv1_006516
The XLogP value of 5.49132 indicates that ChemDiv1_006516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006516. Following Lipinski's Rule of Five, ChemDiv1_006516 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006516?
The CAS number of ChemDiv1_006516 is 347352-69-6.
What is the molecular formula of ChemDiv1_006516?
The molecular formula of ChemDiv1_006516 is C31H31NO5.
What is the molecular weight of ChemDiv1_006516?
The molecular weight of ChemDiv1_006516 is 497.22 g/mol.
Where can I buy ChemDiv1_006516?
You can request a quote for ChemDiv1_006516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006516?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.