BAS 00329383
TL;DR: BAS 00329383 (CAS 301352-52-3) is a chemical compound with molecular formula C20H20BrN3O2 and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: BAS 00329383, BIM-0027668.P001, 3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline, 3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline, 3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
| Molecular Formula | C20H20BrN3O2 |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 4.683 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.07388 |
| Heavy Atoms | 26 |
| Complexity | 977.46655 |
Chemical Identifiers
| CAS Number | 301352-52-3 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C3=NN=C(N31)C4=CC=C(C=C4)Br)OC)OC)C |
Product Overview
BAS 00329383 (CAS 301352-52-3), with molecular formula C20H20BrN3O2 and molecular weight 413.07 g/mol. IUPAC: 3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of BAS 00329383
Property Insights of BAS 00329383
The XLogP value of 4.683 indicates that BAS 00329383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, BAS 00329383 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00329383 has 0 hydrogen bond donor(s) and 4 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 00329383?
The CAS number of BAS 00329383 is 301352-52-3.
What is the molecular formula of BAS 00329383?
The molecular formula of BAS 00329383 is C20H20BrN3O2.
What is the molecular weight of BAS 00329383?
The molecular weight of BAS 00329383 is 413.07 g/mol.
Where can I buy BAS 00329383?
You can request a quote for BAS 00329383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329383?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.