BAS 00470496
TL;DR: BAS 00470496 (CAS 332413-28-2) is a chemical compound with molecular formula C18H18BrN3O3 and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: BAS 00470496, BIM-0015749.P001, 3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline, 3-(5-bromo-2-furyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline, 3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
| Molecular Formula | C18H18BrN3O3 |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 4.276 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.05316 |
| Heavy Atoms | 25 |
| Complexity | 958.62964 |
Chemical Identifiers
| CAS Number | 332413-28-2 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C3=NN=C(N31)C4=CC=C(O4)Br)OC)OC)C |
Product Overview
BAS 00470496 (CAS 332413-28-2), with molecular formula C18H18BrN3O3 and molecular weight 403.05 g/mol. IUPAC: 3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of BAS 00470496
Property Insights of BAS 00470496
The XLogP value of 4.276 indicates that BAS 00470496 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00470496. Following Lipinski's Rule of Five, BAS 00470496 has 0 hydrogen bond donor(s) and 5 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 BAS 00470496?
The CAS number of BAS 00470496 is 332413-28-2.
What is the molecular formula of BAS 00470496?
The molecular formula of BAS 00470496 is C18H18BrN3O3.
What is the molecular weight of BAS 00470496?
The molecular weight of BAS 00470496 is 403.05 g/mol.
Where can I buy BAS 00470496?
You can request a quote for BAS 00470496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00470496?
Yes, KEHONG BIO provides custom synthesis services for BAS 00470496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.