6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione
TL;DR: 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione (CAS 336185-28-5) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-diethoxy-3,4-dihydro-2H-isoquinoline-1-thione
Also Known As: 6,7-diethoxy-2,3,4-trihydroisoquinoline-1-thione, 6,7-diethoxy-3,4-dihydro-2H-isoquinoline-1-thione, 6,7-DIETHOXY-3,4-DIHYDROISOQUINOLINE-1(2H)-THIONE, 6,7-DIETHOXY-3,4-DIHYDROISOQUINOLINE-1(2H)-THIONE, 98, 6,7-Diethoxy-3,4-dihydroisoquinoline-1(2H)-thione,98
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.3052 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 431.6728 |
Chemical Identifiers
| CAS Number | 336185-28-5 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)CCNC2=S)OCC |
Product Overview
6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione (CAS 336185-28-5), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: 6,7-diethoxy-3,4-dihydro-2H-isoquinoline-1-thione.
Chemical Property Profile of 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione
Property Insights of 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione
The XLogP value of 2.3052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione. With a topological polar surface area (TPSA) of 30.49 Ų, 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione has 1 hydrogen bond donor(s) and 3 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 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione?
The CAS number of 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione is 336185-28-5.
What is the molecular formula of 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione?
The molecular formula of 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione is C13H17NO2S.
What is the molecular weight of 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione?
The molecular weight of 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione is 251.10 g/mol.
Where can I buy 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione?
You can request a quote for 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Diethoxy-2,3,4-trihydroisoquinoline-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.