3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea
TL;DR: 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea (CAS 701949-53-3) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea
Also Known As: 3-(2-methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea, 3-(2-methoxy-4-nitrophenyl)-1,1-diprop-2-en-1-ylthiourea, (diprop-2-enylamino)[(2-methoxy-4-nitrophenyl)amino]methane-1-thione
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.9742 |
| Topological Polar Surface Area | 67.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 550.39526 |
Chemical Identifiers
| CAS Number | 701949-53-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N(CC=C)CC=C |
Product Overview
3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea (CAS 701949-53-3), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: 3-(2-methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea.
Chemical Property Profile of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea
Property Insights of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea
The XLogP value of 2.9742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea. The TPSA of 67.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea. Following Lipinski's Rule of Five, 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea has 1 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 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea?
The CAS number of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea is 701949-53-3.
What is the molecular formula of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea?
The molecular formula of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea is C14H17N3O3S.
What is the molecular weight of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea?
The molecular weight of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea is 307.10 g/mol.
Where can I buy 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea?
You can request a quote for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.