![1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one structure](/static/products/330/330180-48-8.png)
1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one
TL;DR: 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one (CAS 330180-48-8) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,13-dimethyl-14-thia-1,16-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,9,11(15),12,16-heptaen-2-one
Also Known As: 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one
| Molecular Formula | C16H12N2OS |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.67924 |
| Topological Polar Surface Area | 34.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.06705 |
| Heavy Atoms | 20 |
| Complexity | 1043.0782 |
Chemical Identifiers
| CAS Number | 330180-48-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C3=CC4=CC=CC=C4C(=O)N3C=N2)C |
Product Overview
1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one (CAS 330180-48-8), with molecular formula C16H12N2OS and molecular weight 280.07 g/mol. IUPAC: 12,13-dimethyl-14-thia-1,16-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,9,11(15),12,16-heptaen-2-one.
Chemical Property Profile of 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one
Property Insights of 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one
The XLogP value of 3.67924 indicates that 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.37 Ų, 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one has 0 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 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one?
The CAS number of 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one is 330180-48-8.
What is the molecular formula of 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one?
The molecular formula of 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one is C16H12N2OS.
What is the molecular weight of 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one?
The molecular weight of 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one is 280.07 g/mol.
Where can I buy 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one?
You can request a quote for 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2-dimethyl-7H-thieno[2',3':4,5]pyrimido[1,6-b]isoquinolin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.