1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea
TL;DR: 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea (CAS 706777-46-0) is a chemical compound with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea
Also Known As: CBKinase1_006633, CBKinase1_019033, 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea, BRD-K63363296-001-01-2, [(2-furylmethyl)amino][(2-methoxy-4-nitrophenyl)amino]methane-1-thione
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 2.683 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.06268 |
| Heavy Atoms | 21 |
| Complexity | 642.87085 |
Chemical Identifiers
| CAS Number | 706777-46-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=CO2 |
Product Overview
1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea (CAS 706777-46-0), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea
Property Insights of 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea
The XLogP value of 2.683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea. The TPSA of 89.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea 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 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
The CAS number of 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea is 706777-46-0.
What is the molecular formula of 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
The molecular formula of 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea is C13H13N3O4S.
What is the molecular weight of 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
The molecular weight of 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea is 307.06 g/mol.
Where can I buy 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
You can request a quote for 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.