![methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate structure](/static/products/303/303189-69-7.png)
methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
TL;DR: methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate (CAS 303189-69-7) is a chemical compound with molecular formula C14H16N2O3S3 and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-trien-3-yl)sulfanyl]acetate
Also Known As: methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate, methyl 2-((2-mercapto-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetate
| Molecular Formula | C14H16N2O3S3 |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 3.47029 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.03232 |
| Heavy Atoms | 22 |
| Complexity | 794.46234 |
Chemical Identifiers
| CAS Number | 303189-69-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=S)N3)SCC(=O)OC)C |
Product Overview
methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate (CAS 303189-69-7), with molecular formula C14H16N2O3S3 and molecular weight 356.03 g/mol. IUPAC: methyl 2-[(12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-trien-3-yl)sulfanyl]acetate.
Chemical Property Profile of methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Property Insights of methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
The XLogP value of 3.47029 indicates that methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 7 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 methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate?
The CAS number of methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate is 303189-69-7.
What is the molecular formula of methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate?
The molecular formula of methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate is C14H16N2O3S3.
What is the molecular weight of methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate?
The molecular weight of methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate is 356.03 g/mol.
Where can I buy methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate?
You can request a quote for methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(6,6-dimethyl-2-sulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.