![2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid structure](/static/products/383/383159-45-3.png)
2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
TL;DR: 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid (CAS 383159-45-3) is a chemical compound with molecular formula C20H20N2O3S3 and molecular weight 432.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-ethyl-12-methyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
Also Known As: 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C20H20N2O3S3 |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 4.5819 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.0636 |
| Heavy Atoms | 28 |
| Complexity | 1107.3217 |
Chemical Identifiers
| CAS Number | 383159-45-3 |
|---|---|
| SMILES | CCC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4)C |
Product Overview
2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid (CAS 383159-45-3), with molecular formula C20H20N2O3S3 and molecular weight 432.06 g/mol. IUPAC: 2-[(12-ethyl-12-methyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
Property Insights of 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
The XLogP value of 4.5819 indicates that 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic 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 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid?
The CAS number of 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid is 383159-45-3.
What is the molecular formula of 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid?
The molecular formula of 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid is C20H20N2O3S3.
What is the molecular weight of 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid?
The molecular weight of 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid is 432.06 g/mol.
Where can I buy 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid?
You can request a quote for 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.