![3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid structure](/static/products/372/372154-83-1.png)
3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid
TL;DR: 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid (CAS 372154-83-1) is a chemical compound with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid
Also Known As: 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid, 3-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
| Molecular Formula | C20H20N2O4S2 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 3.8653 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.08646 |
| Heavy Atoms | 28 |
| Complexity | 1102.8314 |
Chemical Identifiers
| CAS Number | 372154-83-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCCC(=O)O)C4=CC=CC=C4)C |
Product Overview
3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid (CAS 372154-83-1), with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol. IUPAC: 3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid
Property Insights of 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid
The XLogP value of 3.8653 indicates that 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid. Following Lipinski's Rule of Five, 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid has 1 hydrogen bond donor(s) and 6 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-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid?
The CAS number of 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid is 372154-83-1.
What is the molecular formula of 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid?
The molecular formula of 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid is C20H20N2O4S2.
What is the molecular weight of 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid?
The molecular weight of 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid is 416.09 g/mol.
Where can I buy 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid?
You can request a quote for 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.