![9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline structure](/static/products/5238/5238-16-4.webp)
9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline
TL;DR: 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline (CAS 5238-16-4) is a chemical compound with molecular formula C17H19NO2S and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-12-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,11(15),13-pentaene
Also Known As: 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline, 5,6-Dimethoxy-12-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,11(15),13-pentaene
| Molecular Formula | C17H19NO2S |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.11365 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 5238-16-4 |
|---|---|
| SMILES | COC1=C(C=C2CN3CCC4=C(C3CC2=C1)SC=C4)OC |
| InChIKey | VNPPDSHBIGKVJI-UHFFFAOYSA-N |
Product Overview
9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline (CAS 5238-16-4), with molecular formula C17H19NO2S and molecular weight 301.11 g/mol. IUPAC: 5,6-dimethoxy-12-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,11(15),13-pentaene.
Chemical Property Profile of 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline
Property Insights of 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline
The XLogP value of 3.0 indicates that 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline 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 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline?
The CAS number of 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline is 5238-16-4.
What is the molecular formula of 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline?
The molecular formula of 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline is C17H19NO2S.
What is the molecular weight of 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline?
The molecular weight of 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline is 301.11 g/mol.
Where can I buy 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline?
You can request a quote for 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.