methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate
TL;DR: methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate (CAS 383146-97-2) is a chemical compound with molecular formula C15H12N2O2S3 and molecular weight 348.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate
Also Known As: methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate, 9R-1327, methyl 2-(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate, methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzoate, methyl2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzoate
| Molecular Formula | C15H12N2O2S3 |
|---|---|
| Molecular Weight | 348.01 g/mol |
| LogP | 4.351 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0061 |
| Heavy Atoms | 22 |
| Complexity | 832.52057 |
Chemical Identifiers
| CAS Number | 383146-97-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2C=CS3)SC |
Product Overview
methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate (CAS 383146-97-2), with molecular formula C15H12N2O2S3 and molecular weight 348.01 g/mol. IUPAC: methyl 2-(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate.
Chemical Property Profile of methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate
Property Insights of methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate
The XLogP value of 4.351 indicates that methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate has 0 hydrogen bond donor(s) and 7 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-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate?
The CAS number of methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate is 383146-97-2.
What is the molecular formula of methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate?
The molecular formula of methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate is C15H12N2O2S3.
What is the molecular weight of methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate?
The molecular weight of methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate is 348.01 g/mol.
Where can I buy methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate?
You can request a quote for methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.