![3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one structure](/static/products/875/875746-41-1.png)
3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one
TL;DR: 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one (CAS 875746-41-1) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4-one
Also Known As: 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one, 3-(3,3-dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.0732 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 619.2027 |
Chemical Identifiers
| CAS Number | 875746-41-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C=CS2 |
Product Overview
3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one (CAS 875746-41-1), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 3-(3,3-dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one
Property Insights of 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one
The XLogP value of 2.0732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one. With a topological polar surface area (TPSA) of 51.96 Ų, 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-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-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one?
The CAS number of 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one is 875746-41-1.
What is the molecular formula of 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one?
The molecular formula of 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one is C12H14N2O2S.
What is the molecular weight of 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one?
The molecular weight of 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one is 250.08 g/mol.
Where can I buy 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one?
You can request a quote for 3-(3,3-Dimethyl-2-oxobutyl)thieno[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 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-Dimethyl-2-oxobutyl)thieno[2,3-d]pyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.