![5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/795/795293-69-5.png)
5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 795293-69-5) is a chemical compound with molecular formula C11H14N2OS and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(2-methylpropyl)-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one, Thieno[2,3-d]pyrimidin-4 -one,2-methyl-5- -, 2-methyl-5-(2-methylpropyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-methyl-5-(2-methylpropyl)-3H-thieno[2,3-d]pyrimidin-4-one, Thieno[2,3-d]pyrimidin-4(1H)-one, 2-methyl-5-(2-methylpropyl)- (9CI)
| Molecular Formula | C11H14N2OS |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 2.49152 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.08269 |
| Heavy Atoms | 15 |
| Complexity | 539.0018 |
Chemical Identifiers
| CAS Number | 795293-69-5 |
|---|---|
| SMILES | CC1=NC2=C(C(=CS2)CC(C)C)C(=O)N1 |
Product Overview
5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 795293-69-5), with molecular formula C11H14N2OS and molecular weight 222.08 g/mol. IUPAC: 2-methyl-5-(2-methylpropyl)-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 2.49152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-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 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one is 795293-69-5.
What is the molecular formula of 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one is C11H14N2OS.
What is the molecular weight of 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one is 222.08 g/mol.
Where can I buy 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 5-Isobutyl-2-methylthieno[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 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Isobutyl-2-methylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.