![4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile structure](/static/products/6132/613227-00-2.webp)
4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile
TL;DR: 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile (CAS 613227-00-2) is a chemical compound with molecular formula C23H16ClN3OS2 and molecular weight 449.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile, 4-({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile, 4-({[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}methyl)benzonitrile, 4-[[2-(4-chlorophenyl)-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanylmethyl]benzonitrile, 4-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5 -b]thiophen-2-ylthio]methyl}benzenecarbonitrile
| Molecular Formula | C23H16ClN3OS2 |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 5.75328 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.04233 |
| Heavy Atoms | 30 |
| Complexity | 1349.2102 |
Chemical Identifiers
| CAS Number | 613227-00-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C#N)C5=CC=C(C=C5)Cl |
Product Overview
4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile (CAS 613227-00-2), with molecular formula C23H16ClN3OS2 and molecular weight 449.04 g/mol. IUPAC: 4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile
Property Insights of 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile
The XLogP value of 5.75328 indicates that 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile has 0 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 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
The CAS number of 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile is 613227-00-2.
What is the molecular formula of 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
The molecular formula of 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile is C23H16ClN3OS2.
What is the molecular weight of 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
The molecular weight of 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile is 449.04 g/mol.
Where can I buy 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
You can request a quote for 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.