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Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
TL;DR: Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate (CAS 371144-18-2) is a chemical compound with molecular formula C10H12N4O3S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: BAS 02991984, ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate, ethyl 5-{[(4-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate, ethyl 5-(((4-amino-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate, ethyl 5-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C10H12N4O3S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.06302 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 371144-18-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O1)CSC2=NN=CN2N |
| InChIKey | UXJZSMGNMZMHBW-UHFFFAOYSA-N |
Product Overview
Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate (CAS 371144-18-2), with molecular formula C10H12N4O3S and molecular weight 268.06 g/mol. IUPAC: ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
Property Insights of Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate has 1 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 Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate?
The CAS number of Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate is 371144-18-2.
What is the molecular formula of Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate?
The molecular formula of Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate is C10H12N4O3S.
What is the molecular weight of Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate?
The molecular weight of Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate is 268.06 g/mol.
Where can I buy Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate?
You can request a quote for Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]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-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.