![methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate structure](/static/products/672/672267-37-7.png)
methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
TL;DR: methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 672267-37-7) is a chemical compound with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[11-benzyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate
Also Known As: methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
| Molecular Formula | C27H27N3O3S2 |
|---|---|
| Molecular Weight | 505.15 g/mol |
| LogP | 4.96752 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.14938 |
| Heavy Atoms | 35 |
| Complexity | 1428.3314 |
Chemical Identifiers
| CAS Number | 672267-37-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)OC)SC4=C3CCN(C4)CC5=CC=CC=C5 |
Product Overview
methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 672267-37-7), with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol. IUPAC: methyl 2-[[11-benzyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate.
Chemical Property Profile of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
Property Insights of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
The XLogP value of 4.96752 indicates that methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':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 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate. Following Lipinski's Rule of Five, methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The CAS number of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 672267-37-7.
What is the molecular formula of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular formula of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is C27H27N3O3S2.
What is the molecular weight of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular weight of methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 505.15 g/mol.
Where can I buy methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
You can request a quote for methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':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 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((7-benzyl-4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydropyrido[4',3':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.