1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea
TL;DR: 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea (CAS 897331-31-6) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea
Also Known As: 1-(2-methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea, 1-(2-methoxy-5-nitrophenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea, [(2-methoxy-5-nitrophenyl)amino][(oxolan-2-ylmethyl)amino]methane-1-thione
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.0688 |
| Topological Polar Surface Area | 85.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 532.1477 |
Chemical Identifiers
| CAS Number | 897331-31-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCC2CCCO2 |
Product Overview
1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea (CAS 897331-31-6), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: 1-(2-methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea.
Chemical Property Profile of 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea
Property Insights of 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea
The XLogP value of 2.0688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea. The TPSA of 85.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)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-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea?
The CAS number of 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea is 897331-31-6.
What is the molecular formula of 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea?
The molecular formula of 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea is C13H17N3O4S.
What is the molecular weight of 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea?
The molecular weight of 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea is 311.09 g/mol.
Where can I buy 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea?
You can request a quote for 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxy-5-nitrophenyl)-3-(oxolan-2-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.