BAS 00329341
TL;DR: BAS 00329341 (CAS 331001-22-0) is a chemical compound with molecular formula C18H15Cl2N3 and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: BAS 00329341, 3-(2,4-dichlorophenyl)-5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline, 3-(2,4-dichlorophenyl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline, 3-(2,4-dichlorophenyl)-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
| Molecular Formula | C18H15Cl2N3 |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 5.2101 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.0643 |
| Heavy Atoms | 23 |
| Complexity | 912.3802 |
Chemical Identifiers
| CAS Number | 331001-22-0 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
BAS 00329341 (CAS 331001-22-0), with molecular formula C18H15Cl2N3 and molecular weight 343.06 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of BAS 00329341
Property Insights of BAS 00329341
The XLogP value of 5.2101 indicates that BAS 00329341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, BAS 00329341 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00329341 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00329341?
The CAS number of BAS 00329341 is 331001-22-0.
What is the molecular formula of BAS 00329341?
The molecular formula of BAS 00329341 is C18H15Cl2N3.
What is the molecular weight of BAS 00329341?
The molecular weight of BAS 00329341 is 343.06 g/mol.
Where can I buy BAS 00329341?
You can request a quote for BAS 00329341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329341?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.