![(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate structure](/static/products/7261/726157-45-5.webp)
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate
TL;DR: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate (CAS 726157-45-5) is a chemical compound with molecular formula C16H12F2N2O3S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate
Also Known As: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate, (5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate
| Molecular Formula | C16H12F2N2O3S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 3.23664 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.05368 |
| Heavy Atoms | 24 |
| Complexity | 990.2106 |
Chemical Identifiers
| CAS Number | 726157-45-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CC=C3F)F)C |
Product Overview
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate (CAS 726157-45-5), with molecular formula C16H12F2N2O3S and molecular weight 350.05 g/mol. IUPAC: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate.
Chemical Property Profile of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate
Property Insights of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate
The XLogP value of 3.23664 indicates that (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate. Following Lipinski's Rule of Five, (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate has 1 hydrogen bond donor(s) and 5 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 (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate?
The CAS number of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate is 726157-45-5.
What is the molecular formula of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate?
The molecular formula of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate is C16H12F2N2O3S.
What is the molecular weight of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate?
The molecular weight of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate is 350.05 g/mol.
Where can I buy (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate?
You can request a quote for (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.