ChemDiv1_000796
TL;DR: ChemDiv1_000796 (CAS 299453-82-0) is a chemical compound with molecular formula C25H24BrNO5 and molecular weight 497.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_000796, BAS 00411114, BIM-0020328.P001, benzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C25H24BrNO5 |
|---|---|
| Molecular Weight | 497.08 g/mol |
| LogP | 4.8746 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.0838 |
| Heavy Atoms | 32 |
| Complexity | 1136.5214 |
Chemical Identifiers
| CAS Number | 299453-82-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC4=CC=CC=C4 |
Product Overview
ChemDiv1_000796 (CAS 299453-82-0), with molecular formula C25H24BrNO5 and molecular weight 497.08 g/mol. IUPAC: benzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_000796
Property Insights of ChemDiv1_000796
The XLogP value of 4.8746 indicates that ChemDiv1_000796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000796. Following Lipinski's Rule of Five, ChemDiv1_000796 has 2 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_000796?
The CAS number of ChemDiv1_000796 is 299453-82-0.
What is the molecular formula of ChemDiv1_000796?
The molecular formula of ChemDiv1_000796 is C25H24BrNO5.
What is the molecular weight of ChemDiv1_000796?
The molecular weight of ChemDiv1_000796 is 497.08 g/mol.
Where can I buy ChemDiv1_000796?
You can request a quote for ChemDiv1_000796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000796?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.