ChemDiv1_002528
TL;DR: ChemDiv1_002528 (CAS 296889-69-5) is a chemical compound with molecular formula C28H30BrNO6 and molecular weight 555.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002528, A1985/0083459, propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, isopropyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H30BrNO6 |
|---|---|
| Molecular Weight | 555.13 g/mol |
| LogP | 5.4851 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.1257 |
| Heavy Atoms | 36 |
| Complexity | 1261.5461 |
Chemical Identifiers
| CAS Number | 296889-69-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC(C)C |
Product Overview
ChemDiv1_002528 (CAS 296889-69-5), with molecular formula C28H30BrNO6 and molecular weight 555.13 g/mol. IUPAC: propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002528
Property Insights of ChemDiv1_002528
The XLogP value of 5.4851 indicates that ChemDiv1_002528 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002528. Following Lipinski's Rule of Five, ChemDiv1_002528 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002528?
The CAS number of ChemDiv1_002528 is 296889-69-5.
What is the molecular formula of ChemDiv1_002528?
The molecular formula of ChemDiv1_002528 is C28H30BrNO6.
What is the molecular weight of ChemDiv1_002528?
The molecular weight of ChemDiv1_002528 is 555.13 g/mol.
Where can I buy ChemDiv1_002528?
You can request a quote for ChemDiv1_002528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002528?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.