![2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/6785/678554-71-7.webp)
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 678554-71-7) is a chemical compound with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H22N4O2S2 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 5.5032 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1184 |
| Heavy Atoms | 33 |
| Complexity | 1499.3962 |
Chemical Identifiers
| CAS Number | 678554-71-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=NC5=CC=CC=C5N4)SC6=C3CCCC6 |
Product Overview
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 678554-71-7), with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 5.5032 indicates that 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 678554-71-7.
What is the molecular formula of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is C25H22N4O2S2.
What is the molecular weight of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 474.12 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-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-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.