![4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile structure](/static/products/575/575461-48-2.png)
4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile
TL;DR: 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile (CAS 575461-48-2) is a chemical compound with molecular formula C20H19N3OS2 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile
Also Known As: 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile, 4-[({4-ethyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)methyl]benzonitrile, 4-[(3-ethyl-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io)methyl]benzenecarbonitrile, 4-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile, 4-{[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
| Molecular Formula | C20H19N3OS2 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 4.52068 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.09695 |
| Heavy Atoms | 26 |
| Complexity | 1057.8254 |
Chemical Identifiers
| CAS Number | 575461-48-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C#N)SC4=C2CCCC4 |
Product Overview
4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile (CAS 575461-48-2), with molecular formula C20H19N3OS2 and molecular weight 381.10 g/mol. IUPAC: 4-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile
Property Insights of 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile
The XLogP value of 4.52068 indicates that 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[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-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[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-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile has 0 hydrogen bond donor(s) and 5 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 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
The CAS number of 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile is 575461-48-2.
What is the molecular formula of 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
The molecular formula of 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile is C20H19N3OS2.
What is the molecular weight of 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
The molecular weight of 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile is 381.10 g/mol.
Where can I buy 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
You can request a quote for 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[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-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[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.