![6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/6944/694456-99-0.webp)
6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one (CAS 694456-99-0) is a chemical compound with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: VU0047420-1, 5-isopropyl-6-methyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, 6-methyl-3-phenyl-5-(propan-2-yl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one, 8-methyl-3-phenyl-9-propan-2-yl-4-sulfanylidene-7-thia-3,5-diazabicyclo[4.3.0]nona-8,10-dien-2-one
| Molecular Formula | C16H16N2OS2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.54161 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0704 |
| Heavy Atoms | 21 |
| Complexity | 917.0853 |
Chemical Identifiers
| CAS Number | 694456-99-0 |
|---|---|
| SMILES | CC1=C(C2=C(S1)NC(=S)N(C2=O)C3=CC=CC=C3)C(C)C |
Product Overview
6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one (CAS 694456-99-0), with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol. IUPAC: 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 4.54161 indicates that 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-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, 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 3 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 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one is 694456-99-0.
What is the molecular formula of 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one is C16H16N2OS2.
What is the molecular weight of 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one is 316.07 g/mol.
Where can I buy 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-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 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-3-phenyl-5-propan-2-yl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.