![ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate structure](/static/products/371/371206-90-5.png)
ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate
TL;DR: ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate (CAS 371206-90-5) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: ChemDiv3_002731, AB00109289-01, BRD-K60851214-001-01-8, ethyl 5-{[(5-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate, ethyl 5-(((5-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 371206-90-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C |
| InChIKey | ISWMXDPBLSHBQF-UHFFFAOYSA-N |
Product Overview
ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate (CAS 371206-90-5), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: ethyl 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate
Property Insights of ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate has 1 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 ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate?
The CAS number of ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate is 371206-90-5.
What is the molecular formula of ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate?
The molecular formula of ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate is C11H13N3O3S.
What is the molecular weight of ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate?
The molecular weight of ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate is 267.07 g/mol.
Where can I buy ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate?
You can request a quote for ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.