![2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/3547/354795-49-6.webp)
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 354795-49-6) is a chemical compound with molecular formula C23H17ClN4OS2 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, AO-364/14479007, 2-(((1H-Benzo[d]imidazol-2-yl)methyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 10-(1H-Benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 10-[(1H-1,3-benzodiazol-2-ylmethyl)sulfanyl]-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C23H17ClN4OS2 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 5.7579 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.05322 |
| Heavy Atoms | 31 |
| Complexity | 1467.3756 |
Chemical Identifiers
| CAS Number | 354795-49-6 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)Cl |
Product Overview
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 354795-49-6), with molecular formula C23H17ClN4OS2 and molecular weight 464.05 g/mol. IUPAC: 10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 5.7579 indicates that 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 5 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-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is 354795-49-6.
What is the molecular formula of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is C23H17ClN4OS2.
What is the molecular weight of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is 464.05 g/mol.
Where can I buy 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[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-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.