4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde
TL;DR: 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde (CAS 175278-53-2) is a chemical compound with molecular formula C12H9NO4S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethylsulfanyl)-3-nitrobenzaldehyde
Also Known As: 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde, 4-[(2-Furylmethyl)sulfanyl]-3-nitrobenzenecarbaldehyde, 4-(furan-2-ylmethylsulfanyl)-3-nitrobenzaldehyde, 4-[(2-furylmethyl)thio]-3-nitrobenzaldehyde, JS-166C
| Molecular Formula | C12H9NO4S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 3.2926 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.02524 |
| Heavy Atoms | 18 |
| Complexity | 565.4613 |
Chemical Identifiers
| CAS Number | 175278-53-2 |
|---|---|
| SMILES | C1=COC(=C1)CSC2=C(C=C(C=C2)C=O)[N+](=O)[O-] |
Product Overview
4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde (CAS 175278-53-2), with molecular formula C12H9NO4S and molecular weight 263.03 g/mol. IUPAC: 4-(furan-2-ylmethylsulfanyl)-3-nitrobenzaldehyde.
Chemical Property Profile of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde
Property Insights of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde
The XLogP value of 3.2926 indicates that 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde has 0 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 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde?
The CAS number of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde is 175278-53-2.
What is the molecular formula of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde?
The molecular formula of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde is C12H9NO4S.
What is the molecular weight of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde?
The molecular weight of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde is 263.03 g/mol.
Where can I buy 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde?
You can request a quote for 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.