ChemDiv1_003202
TL;DR: ChemDiv1_003202 (CAS 5874-93-1) is a chemical compound with molecular formula C28H25NO5 and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003202, BAS 02169841, AB00100006-01, F0849-4440, 2-phenylethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H25NO5 |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 4.5468 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.17328 |
| Heavy Atoms | 34 |
| Complexity | 1397.0686 |
Chemical Identifiers
| CAS Number | 5874-93-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OCCC5=CC=CC=C5 |
Product Overview
ChemDiv1_003202 (CAS 5874-93-1), with molecular formula C28H25NO5 and molecular weight 455.17 g/mol. IUPAC: 2-phenylethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003202
Property Insights of ChemDiv1_003202
The XLogP value of 4.5468 indicates that ChemDiv1_003202 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_003202. Following Lipinski's Rule of Five, ChemDiv1_003202 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003202?
The CAS number of ChemDiv1_003202 is 5874-93-1.
What is the molecular formula of ChemDiv1_003202?
The molecular formula of ChemDiv1_003202 is C28H25NO5.
What is the molecular weight of ChemDiv1_003202?
The molecular weight of ChemDiv1_003202 is 455.17 g/mol.
Where can I buy ChemDiv1_003202?
You can request a quote for ChemDiv1_003202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003202?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.