ChemDiv1_002792
TL;DR: ChemDiv1_002792 (CAS 330216-19-8) is a chemical compound with molecular formula C25H21BrClNO5 and molecular weight 529.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002792, BAS 01251575, A1998/0083945, methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C25H21BrClNO5 |
|---|---|
| Molecular Weight | 529.03 g/mol |
| LogP | 5.3658 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.0292 |
| Heavy Atoms | 33 |
| Complexity | 1234.1035 |
Chemical Identifiers
| CAS Number | 330216-19-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Br)OCO5)C(=O)OC |
Product Overview
ChemDiv1_002792 (CAS 330216-19-8), with molecular formula C25H21BrClNO5 and molecular weight 529.03 g/mol. IUPAC: methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002792
Property Insights of ChemDiv1_002792
The XLogP value of 5.3658 indicates that ChemDiv1_002792 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002792. Following Lipinski's Rule of Five, ChemDiv1_002792 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_002792?
The CAS number of ChemDiv1_002792 is 330216-19-8.
What is the molecular formula of ChemDiv1_002792?
The molecular formula of ChemDiv1_002792 is C25H21BrClNO5.
What is the molecular weight of ChemDiv1_002792?
The molecular weight of ChemDiv1_002792 is 529.03 g/mol.
Where can I buy ChemDiv1_002792?
You can request a quote for ChemDiv1_002792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002792?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.