![2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one structure](/static/products/2100/21004-40-0.webp)
2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one
TL;DR: 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one (CAS 21004-40-0) is a chemical compound with molecular formula C12H10N2OS and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one, 2-phenyl-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one, 4-Oxo-2-phenyl-3,4,5,6-tetrahydro-thieno<2,3-d>pyrimidin, 3-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-5-one
| Molecular Formula | C12H10N2OS |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.05139 |
| Heavy Atoms | 16 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 21004-40-0 |
|---|---|
| SMILES | C1CSC2=C1C(=O)NC(=N2)C3=CC=CC=C3 |
| InChIKey | PWVNGOKEJSRATH-UHFFFAOYSA-N |
Product Overview
2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one (CAS 21004-40-0), with molecular formula C12H10N2OS and molecular weight 230.05 g/mol. IUPAC: 2-phenyl-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one
Property Insights of 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one. Following Lipinski's Rule of Five, 2-Phenyl-5,6-dihydrothieno[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 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one?
The CAS number of 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one is 21004-40-0.
What is the molecular formula of 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one?
The molecular formula of 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one is C12H10N2OS.
What is the molecular weight of 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one?
The molecular weight of 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one is 230.05 g/mol.
Where can I buy 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one?
You can request a quote for 2-Phenyl-5,6-dihydrothieno[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 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.