BAS 00345158
TL;DR: BAS 00345158 (CAS 369396-27-0) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9-dimethoxy-5,5-dimethyl-2,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-thione
Also Known As: BAS 00345158, 8,9-dimethoxy-5,5-dimethyl-2,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-thione, 8,9-dimethoxy-5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3(2H)-thione, 8,9-Dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline-3(2H)-thione, 8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline-3-thiol
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.91609 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 730.5056 |
Chemical Identifiers
| CAS Number | 369396-27-0 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C3=NNC(=S)N31)OC)OC)C |
Product Overview
BAS 00345158 (CAS 369396-27-0), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: 8,9-dimethoxy-5,5-dimethyl-2,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-thione.
Chemical Property Profile of BAS 00345158
Property Insights of BAS 00345158
The XLogP value of 2.91609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00345158. With a topological polar surface area (TPSA) of 52.07 Ų, BAS 00345158 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00345158 has 1 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 00345158?
The CAS number of BAS 00345158 is 369396-27-0.
What is the molecular formula of BAS 00345158?
The molecular formula of BAS 00345158 is C14H17N3O2S.
What is the molecular weight of BAS 00345158?
The molecular weight of BAS 00345158 is 291.10 g/mol.
Where can I buy BAS 00345158?
You can request a quote for BAS 00345158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00345158?
Yes, KEHONG BIO provides custom synthesis services for BAS 00345158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.