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N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide
TL;DR: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide (CAS 592471-35-7) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide
Also Known As: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide, A3634/0154206, N-[2-(2-furylmethylthio)ethyl](4-nitrophenyl)carboxamide, N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}-4-nitrobenzamide, N-(2-{[(FURAN-2-YL)METHYL]SULFANYL}ETHYL)-4-NITROBENZAMIDE
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.851 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 595.9464 |
Chemical Identifiers
| CAS Number | 592471-35-7 |
|---|---|
| SMILES | C1=COC(=C1)CSCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide (CAS 592471-35-7), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide.
Chemical Property Profile of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide
Property Insights of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide
The XLogP value of 2.851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide has 1 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 N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide?
The CAS number of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide is 592471-35-7.
What is the molecular formula of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide?
The molecular formula of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide is C14H14N2O4S.
What is the molecular weight of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide?
The molecular weight of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide is 306.07 g/mol.
Where can I buy N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide?
You can request a quote for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.