ChemDiv1_000840
TL;DR: ChemDiv1_000840 (CAS 299450-56-9) is a chemical compound with molecular formula C23H26BrNO6 and molecular weight 491.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_000840, BAS 00545724, 2-methoxyethyl 4-(6-bromo(2H-benzo[d]1,3-dioxolen-5-yl))-2,7,7-trimethyl-5-oxo -1,4,6,7,8-pentahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C23H26BrNO6 |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 3.9714 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.09436 |
| Heavy Atoms | 31 |
| Complexity | 1009.5642 |
Chemical Identifiers
| CAS Number | 299450-56-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC |
Product Overview
ChemDiv1_000840 (CAS 299450-56-9), with molecular formula C23H26BrNO6 and molecular weight 491.09 g/mol. IUPAC: 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_000840
Property Insights of ChemDiv1_000840
The XLogP value of 3.9714 indicates that ChemDiv1_000840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000840. Following Lipinski's Rule of Five, ChemDiv1_000840 has 1 hydrogen bond donor(s) and 7 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_000840?
The CAS number of ChemDiv1_000840 is 299450-56-9.
What is the molecular formula of ChemDiv1_000840?
The molecular formula of ChemDiv1_000840 is C23H26BrNO6.
What is the molecular weight of ChemDiv1_000840?
The molecular weight of ChemDiv1_000840 is 491.09 g/mol.
Where can I buy ChemDiv1_000840?
You can request a quote for ChemDiv1_000840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000840?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.