![3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile structure](/static/products/116/116061-31-5.png)
3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile
TL;DR: 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile (CAS 116061-31-5) is a chemical compound with molecular formula C19H10FN3OS and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-14-methyl-11-oxo-9-thia-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,12,15,17,19-octaene-12-carbonitrile
Also Known As: 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile, 3-fluoro-8-methyl-6-oxo-6,8-dihydrobenzo[4,5]imidazo[1,2-a]benzo[4,5]thieno[2,3-e]pyridine-7-carbonitrile
| Molecular Formula | C19H10FN3OS |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 4.16988 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 347.05286 |
| Heavy Atoms | 25 |
| Complexity | 1449.1656 |
Chemical Identifiers
| CAS Number | 116061-31-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N3C1=C(C(=O)C4=C3C5=C(S4)C=C(C=C5)F)C#N |
Product Overview
3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile (CAS 116061-31-5), with molecular formula C19H10FN3OS and molecular weight 347.05 g/mol. IUPAC: 6-fluoro-14-methyl-11-oxo-9-thia-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,12,15,17,19-octaene-12-carbonitrile.
Chemical Property Profile of 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile
Property Insights of 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile
The XLogP value of 4.16988 indicates that 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile 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 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile?
The CAS number of 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile is 116061-31-5.
What is the molecular formula of 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile?
The molecular formula of 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile is C19H10FN3OS.
What is the molecular weight of 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile?
The molecular weight of 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile is 347.05 g/mol.
Where can I buy 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile?
You can request a quote for 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-8-methyl-6-oxo-6,8-dihydro[1]benzothieno[2',3':5,6]pyrido[1,2-a]benzimidazole-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.