Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride
TL;DR: Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride (CAS 120208-65-3) is a chemical compound with molecular formula C11H17ClN2O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(carbamimidoylsulfanylmethyl)-5-ethylfuran-2-carboxylate;hydrochloride
Also Known As: ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride, Ethyl 4-(carbamimidoylsulfanylmethyl)-5-ethyl-furan-2-carboxylate Hydrochloride, ethyl 4-(carbamimidoylsulfanylmethyl)-5-ethylfuran-2-carboxylate hydrochloride
| Molecular Formula | C11H17ClN2O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.56717 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06485 |
| Heavy Atoms | 18 |
| Complexity | 420.42087 |
Chemical Identifiers
| CAS Number | 120208-65-3 |
|---|---|
| SMILES | CCC1=C(C=C(O1)C(=O)OCC)CSC(=N)N.Cl |
Product Overview
Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride (CAS 120208-65-3), with molecular formula C11H17ClN2O3S and molecular weight 292.06 g/mol. IUPAC: ethyl 4-(carbamimidoylsulfanylmethyl)-5-ethylfuran-2-carboxylate;hydrochloride.
Chemical Property Profile of Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride
Property Insights of Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride
The XLogP value of 2.56717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride. Following Lipinski's Rule of Five, Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride has 2 hydrogen bond donor(s) and 5 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 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride?
The CAS number of Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride is 120208-65-3.
What is the molecular formula of Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride?
The molecular formula of Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride is C11H17ClN2O3S.
What is the molecular weight of Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride?
The molecular weight of Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride is 292.06 g/mol.
Where can I buy Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride?
You can request a quote for Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((carbamimidoylthio)methyl)-5-ethylfuran-2-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.