BAS 00329596
TL;DR: BAS 00329596 (CAS 163557-53-7) is a chemical compound with molecular formula C14H19NO2S and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline
Also Known As: BAS 00329596, 6,7-Dimethoxy-3,3-dimethyl-1-methylsulfanyl-3,4-dihydro-isoquinoline, 6,7-dimethoxy-3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline, 6,7-dimethoxy-3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline, J1.130.740J
| Molecular Formula | C14H19NO2S |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.1481 |
| Topological Polar Surface Area | 30.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.11365 |
| Heavy Atoms | 18 |
| Complexity | 494.8125 |
Chemical Identifiers
| CAS Number | 163557-53-7 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C(=N1)SC)OC)OC)C |
Product Overview
BAS 00329596 (CAS 163557-53-7), with molecular formula C14H19NO2S and molecular weight 265.11 g/mol. IUPAC: 6,7-dimethoxy-3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline.
Chemical Property Profile of BAS 00329596
Property Insights of BAS 00329596
The XLogP value of 3.1481 indicates that BAS 00329596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.82 Ų, BAS 00329596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00329596 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 00329596?
The CAS number of BAS 00329596 is 163557-53-7.
What is the molecular formula of BAS 00329596?
The molecular formula of BAS 00329596 is C14H19NO2S.
What is the molecular weight of BAS 00329596?
The molecular weight of BAS 00329596 is 265.11 g/mol.
Where can I buy BAS 00329596?
You can request a quote for BAS 00329596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329596?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.