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Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
TL;DR: Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate (CAS 294874-54-7) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
Also Known As: TimTec1_005395, BAS 01508939, methyl 2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate, A1389/0062100, Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 294874-54-7 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)OC)OC3=CC=CC=C32 |
| InChIKey | REYPAPRXRXZLSX-UHFFFAOYSA-N |
Product Overview
Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate (CAS 294874-54-7), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: methyl 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
Property Insights of Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
The XLogP value of 3.2 indicates that Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate 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-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate?
The CAS number of Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate is 294874-54-7.
What is the molecular formula of Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate?
The molecular formula of Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate is C14H12N2O3S.
What is the molecular weight of Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate?
The molecular weight of Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate is 288.06 g/mol.
Where can I buy Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate?
You can request a quote for Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.