ChemDiv2_005769
TL;DR: ChemDiv2_005769 (CAS 1005238-76-5) is a chemical compound with molecular formula C23H25BrFNO5 and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-methyl 3-O-propyl 4-(3-bromo-4-fluorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: ChemDiv2_005769, IDI1_004484, 6-methyl 3-propyl 4-(3-bromo-4-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 6-methyl 3-propyl 4-(3-bromo-4-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate, 6-O-methyl 3-O-propyl (4S,6R,7S)-4-(3-bromo-4-fluorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
| Molecular Formula | C23H25BrFNO5 |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | 4.1544 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.09 |
| Heavy Atoms | 31 |
| Complexity | 999.681 |
Chemical Identifiers
| CAS Number | 1005238-76-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)Br)C(=O)C(C(C2)C)C(=O)OC)C |
Product Overview
ChemDiv2_005769 (CAS 1005238-76-5), with molecular formula C23H25BrFNO5 and molecular weight 493.09 g/mol. IUPAC: 6-O-methyl 3-O-propyl 4-(3-bromo-4-fluorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv2_005769
Property Insights of ChemDiv2_005769
The XLogP value of 4.1544 indicates that ChemDiv2_005769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005769. Following Lipinski's Rule of Five, ChemDiv2_005769 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 ChemDiv2_005769?
The CAS number of ChemDiv2_005769 is 1005238-76-5.
What is the molecular formula of ChemDiv2_005769?
The molecular formula of ChemDiv2_005769 is C23H25BrFNO5.
What is the molecular weight of ChemDiv2_005769?
The molecular weight of ChemDiv2_005769 is 493.09 g/mol.
Where can I buy ChemDiv2_005769?
You can request a quote for ChemDiv2_005769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005769?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.