![2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one structure](/static/products/4380/438031-07-3.webp)
2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one
TL;DR: 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one (CAS 438031-07-3) is a chemical compound with molecular formula C21H19N5OS2 and molecular weight 421.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1-ethyl-2-methylbenzimidazol-5-yl)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one
Also Known As: 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one
| Molecular Formula | C21H19N5OS2 |
|---|---|
| Molecular Weight | 421.10 g/mol |
| LogP | 4.58952 |
| Topological Polar Surface Area | 65.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.1031 |
| Heavy Atoms | 29 |
| Complexity | 1486.3551 |
Chemical Identifiers
| CAS Number | 438031-07-3 |
|---|---|
| SMILES | CCN1C(=NC2=C1C=CC(=C2)C3=NN4C(=O)C5=C(N=C4S3)SC6=C5CCCC6)C |
Product Overview
2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one (CAS 438031-07-3), with molecular formula C21H19N5OS2 and molecular weight 421.10 g/mol. IUPAC: 13-(1-ethyl-2-methylbenzimidazol-5-yl)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one.
Chemical Property Profile of 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one
Property Insights of 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one
The XLogP value of 4.58952 indicates that 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one. Following Lipinski's Rule of Five, 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one has 0 hydrogen bond donor(s) and 6 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 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one?
The CAS number of 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one is 438031-07-3.
What is the molecular formula of 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one?
The molecular formula of 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one is C21H19N5OS2.
What is the molecular weight of 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one?
The molecular weight of 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one is 421.10 g/mol.
Where can I buy 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one?
You can request a quote for 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Ethyl-2-methyl-1H-benzimidazol-5-yl)-6,7,8,9-tetrahydro-10H-[1]benzothieno[2,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.