ChemDiv1_018230
TL;DR: ChemDiv1_018230 (CAS 347318-15-4) is a chemical compound with molecular formula C25H32BrNO6 and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_018230, A2554/0108782, 2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-isopropoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-propan-2-yloxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C25H32BrNO6 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.7355 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1413 |
| Heavy Atoms | 33 |
| Complexity | 1023.9686 |
Chemical Identifiers
| CAS Number | 347318-15-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCCOC(C)C |
Product Overview
ChemDiv1_018230 (CAS 347318-15-4), with molecular formula C25H32BrNO6 and molecular weight 521.14 g/mol. IUPAC: 2-propan-2-yloxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018230
Property Insights of ChemDiv1_018230
The XLogP value of 4.7355 indicates that ChemDiv1_018230 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_018230. Following Lipinski's Rule of Five, ChemDiv1_018230 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_018230?
The CAS number of ChemDiv1_018230 is 347318-15-4.
What is the molecular formula of ChemDiv1_018230?
The molecular formula of ChemDiv1_018230 is C25H32BrNO6.
What is the molecular weight of ChemDiv1_018230?
The molecular weight of ChemDiv1_018230 is 521.14 g/mol.
Where can I buy ChemDiv1_018230?
You can request a quote for ChemDiv1_018230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018230?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.