![methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate structure](/static/products/351/351161-05-2.png)
methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
TL;DR: methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate (CAS 351161-05-2) is a chemical compound with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, methyl 2-((4-oxo-3-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, METHYL 2-[(4-OXO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-4H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 3.9812 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.09152 |
| Heavy Atoms | 27 |
| Complexity | 1040.8018 |
Chemical Identifiers
| CAS Number | 351161-05-2 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=CC=C4 |
Product Overview
methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate (CAS 351161-05-2), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: methyl 2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
Chemical Property Profile of methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Property Insights of methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
The XLogP value of 3.9812 indicates that methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate has 0 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 methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
The CAS number of methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is 351161-05-2.
What is the molecular formula of methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
The molecular formula of methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is C20H20N2O3S2.
What is the molecular weight of methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
The molecular weight of methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is 400.09 g/mol.
Where can I buy methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
You can request a quote for methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-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 [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.