![methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate structure](/static/products/371/371136-59-3.png)
methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
TL;DR: methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 371136-59-3) 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-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]propanoate
Also Known As: methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate, methyl 2-{[3-(3-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 3.89792 |
| 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 | 1100.5353 |
Chemical Identifiers
| CAS Number | 371136-59-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)OC)SC4=C3CCC4 |
Product Overview
methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 371136-59-3), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: methyl 2-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]propanoate.
Chemical Property Profile of methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
Property Insights of methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
The XLogP value of 3.89792 indicates that methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[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)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate. Following Lipinski's Rule of Five, methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[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)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The CAS number of methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 371136-59-3.
What is the molecular formula of methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular formula of methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is C20H20N2O3S2.
What is the molecular weight of methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular weight of methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 400.09 g/mol.
Where can I buy methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
You can request a quote for methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[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)-4,5,6,7-tetrahydro-3H-cyclopenta[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)-4,5,6,7-tetrahydro-3H-cyclopenta[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.