![methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate structure](/static/products/351/351338-58-4.png)
methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
TL;DR: methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 351338-58-4) is a chemical compound with molecular formula C25H30N2O3S2 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
Also Known As: methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate, methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate, methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate, METHYL 3-{[3-BENZYL-7-(TERT-BUTYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}PROPANOATE
| Molecular Formula | C25H30N2O3S2 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 5.3125 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.1698 |
| Heavy Atoms | 32 |
| Complexity | 1175.8457 |
Chemical Identifiers
| CAS Number | 351338-58-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCC(=O)OC)CC4=CC=CC=C4 |
Product Overview
methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 351338-58-4), with molecular formula C25H30N2O3S2 and molecular weight 470.17 g/mol. IUPAC: methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate.
Chemical Property Profile of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
Property Insights of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
The XLogP value of 5.3125 indicates that methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate 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 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate. Following Lipinski's Rule of Five, methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The CAS number of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 351338-58-4.
What is the molecular formula of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular formula of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is C25H30N2O3S2.
What is the molecular weight of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular weight of methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 470.17 g/mol.
Where can I buy methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
You can request a quote for methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-((3-benzyl-7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.