![3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one structure](/static/products/903/903590-14-7.png)
3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
TL;DR: 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one (CAS 903590-14-7) is a chemical compound with molecular formula C15H14FN3OS2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-[(2-fluorophenyl)methyl]-5-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one, 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one, 3-ethyl-6-[(2-fluorophenyl)methyl]-5-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C15H14FN3OS2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.50471 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.05624 |
| Heavy Atoms | 22 |
| Complexity | 971.05853 |
Chemical Identifiers
| CAS Number | 903590-14-7 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C(=N2)C)CC3=CC=CC=C3F)SC1=S |
Product Overview
3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one (CAS 903590-14-7), with molecular formula C15H14FN3OS2 and molecular weight 335.06 g/mol. IUPAC: 3-ethyl-6-[(2-fluorophenyl)methyl]-5-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
Property Insights of 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
The XLogP value of 3.50471 indicates that 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one has 0 hydrogen bond donor(s) and 4 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 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
The CAS number of 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one is 903590-14-7.
What is the molecular formula of 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular formula of 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one is C15H14FN3OS2.
What is the molecular weight of 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular weight of 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one is 335.06 g/mol.
Where can I buy 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
You can request a quote for 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-6-(2-fluorobenzyl)-5-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.