![2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5779/577996-85-1.webp)
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 577996-85-1) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one, 2-(benzimidazol-2-ylmethylthio)-3-(2-furylmethyl)-5,6-dimethyl-3-hydrothiophen o[2,3-d]pyrimidin-4-one, 2-[(1H-benzimidazol-2-ylmethyl)thio]-3-(2-furylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.88474 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1346.4875 |
Chemical Identifiers
| CAS Number | 577996-85-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CC5=CC=CO5)C |
Product Overview
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 577996-85-1), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.88474 indicates that 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one has 1 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-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 577996-85-1.
What is the molecular formula of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is C21H18N4O2S2.
What is the molecular weight of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 422.09 g/mol.
Where can I buy 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.