![methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate structure](/static/products/384/384800-75-3.png)
methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
TL;DR: methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 384800-75-3) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate
Also Known As: methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate, methyl 2-[[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate, methyl 2-{[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 4.28802 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 1116.7716 |
Chemical Identifiers
| CAS Number | 384800-75-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)OC)SC4=C3CCCC4 |
Product Overview
methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 384800-75-3), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: methyl 2-[[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate.
Chemical Property Profile of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
Property Insights of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
The XLogP value of 4.28802 indicates that methyl 2-((4-oxo-3-(m-tolyl)-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 2-((4-oxo-3-(m-tolyl)-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 2-((4-oxo-3-(m-tolyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The CAS number of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 384800-75-3.
What is the molecular formula of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular formula of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is C21H22N2O3S2.
What is the molecular weight of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular weight of methyl 2-((4-oxo-3-(m-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 414.11 g/mol.
Where can I buy methyl 2-((4-oxo-3-(m-tolyl)-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 2-((4-oxo-3-(m-tolyl)-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 2-((4-oxo-3-(m-tolyl)-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 2-((4-oxo-3-(m-tolyl)-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.