1-Furfuryl-3-(3-nitrophenyl)urea
TL;DR: 1-Furfuryl-3-(3-nitrophenyl)urea (CAS 6958-67-4) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-3-(3-nitrophenyl)urea
Also Known As: 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)urea, 1-Furfuryl-3-(3-nitrophenyl)urea, 1-furan-2-ylmethyl-3-(3-nitrophenyl)urea, 3-(furan-2-ylmethyl)-1-(3-nitrophenyl)urea, J2.966.917A
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 6958-67-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CC=CO2 |
| InChIKey | YZFQPQTYOQFPBJ-UHFFFAOYSA-N |
Product Overview
1-Furfuryl-3-(3-nitrophenyl)urea (CAS 6958-67-4), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)urea.
Chemical Property Profile of 1-Furfuryl-3-(3-nitrophenyl)urea
Property Insights of 1-Furfuryl-3-(3-nitrophenyl)urea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Furfuryl-3-(3-nitrophenyl)urea. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Furfuryl-3-(3-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-Furfuryl-3-(3-nitrophenyl)urea has 2 hydrogen bond donor(s) and 4 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 1-Furfuryl-3-(3-nitrophenyl)urea?
The CAS number of 1-Furfuryl-3-(3-nitrophenyl)urea is 6958-67-4.
What is the molecular formula of 1-Furfuryl-3-(3-nitrophenyl)urea?
The molecular formula of 1-Furfuryl-3-(3-nitrophenyl)urea is C12H11N3O4.
What is the molecular weight of 1-Furfuryl-3-(3-nitrophenyl)urea?
The molecular weight of 1-Furfuryl-3-(3-nitrophenyl)urea is 261.07 g/mol.
Where can I buy 1-Furfuryl-3-(3-nitrophenyl)urea?
You can request a quote for 1-Furfuryl-3-(3-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Furfuryl-3-(3-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Furfuryl-3-(3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.