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Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate
TL;DR: Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate (CAS 5383-45-9) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate
Also Known As: ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate, Ethyl 3-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylate
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 3.8775 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 1074.9604 |
Chemical Identifiers
| CAS Number | 5383-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate (CAS 5383-45-9), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate
Property Insights of Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate
The XLogP value of 3.8775 indicates that Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate 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 Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate is 5383-45-9.
What is the molecular formula of Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate is C19H16N4O3S.
What is the molecular weight of Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate is 380.09 g/mol.
Where can I buy Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-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 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.