ChemDiv1_017968
TL;DR: ChemDiv1_017968 (CAS 347319-32-8) is a chemical compound with molecular formula C28H29NO7 and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_017968, BIM-0049167.P001, 2-phenoxyethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxy-4-{2-methyl-5-oxo-3-[(2-phenoxyethyl)oxycarbonyl](4-1,4,6,7,8-pentah ydroquinolyl)}phenyl acetate, 2-phenoxyethyl 4-(4-acetoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H29NO7 |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 4.2106 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.1944 |
| Heavy Atoms | 36 |
| Complexity | 1229.7142 |
Chemical Identifiers
| CAS Number | 347319-32-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)OCCOC4=CC=CC=C4 |
Product Overview
ChemDiv1_017968 (CAS 347319-32-8), with molecular formula C28H29NO7 and molecular weight 491.19 g/mol. IUPAC: 2-phenoxyethyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_017968
Property Insights of ChemDiv1_017968
The XLogP value of 4.2106 indicates that ChemDiv1_017968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017968. Following Lipinski's Rule of Five, ChemDiv1_017968 has 1 hydrogen bond donor(s) and 8 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_017968?
The CAS number of ChemDiv1_017968 is 347319-32-8.
What is the molecular formula of ChemDiv1_017968?
The molecular formula of ChemDiv1_017968 is C28H29NO7.
What is the molecular weight of ChemDiv1_017968?
The molecular weight of ChemDiv1_017968 is 491.19 g/mol.
Where can I buy ChemDiv1_017968?
You can request a quote for ChemDiv1_017968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.