![7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/857/857495-79-5.png)
7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 857495-79-5) is a chemical compound with molecular formula C20H18N2OS2 and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-3-phenyl-2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 7-(tert-Butyl)-2-mercapto-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-tert-butyl-3-phenyl-2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, [1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 7-(1,1-dimethylethyl)-2-mercapto-3-phenyl-, 7-tert-Butyl-2-mercapto-3-phenyl1benzothieno2,3-dpyrimidin-4(3H)-one
| Molecular Formula | C20H18N2OS2 |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 5.56049 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.08606 |
| Heavy Atoms | 25 |
| Complexity | 1208.1265 |
Chemical Identifiers
| CAS Number | 857495-79-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4 |
Product Overview
7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 857495-79-5), with molecular formula C20H18N2OS2 and molecular weight 366.09 g/mol. IUPAC: 7-tert-butyl-3-phenyl-2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.56049 indicates that 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 857495-79-5.
What is the molecular formula of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C20H18N2OS2.
What is the molecular weight of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 366.09 g/mol.
Where can I buy 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[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 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-butyl-2-mercapto-3-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.