Nitroguanil free base
TL;DR: Nitroguanil free base (CAS 4323-51-7) is a chemical compound with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-3-(4-nitrophenyl)urea
Also Known As: Nitroguanil free base, NITROGUANIL, Urea, 1-amidino-3-(p-nitrophenyl)-, 1-amidino-3-p-nitrophenylurea, KST-1B4843
| Molecular Formula | C8H9N5O3 |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.07054 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 4323-51-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N=C(N)N)[N+](=O)[O-] |
| InChIKey | WEHHYSRGQSXGGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitroguanil free base (CAS 4323-51-7), with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol. IUPAC: 1-(diaminomethylidene)-3-(4-nitrophenyl)urea.
Chemical Property Profile of Nitroguanil free base
Property Insights of Nitroguanil free base
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitroguanil free base. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroguanil free base. Following Lipinski's Rule of Five, Nitroguanil free base has 3 hydrogen bond donor(s) and 3 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 Nitroguanil free base?
The CAS number of Nitroguanil free base is 4323-51-7.
What is the molecular formula of Nitroguanil free base?
The molecular formula of Nitroguanil free base is C8H9N5O3.
What is the molecular weight of Nitroguanil free base?
The molecular weight of Nitroguanil free base is 223.07 g/mol.
Where can I buy Nitroguanil free base?
You can request a quote for Nitroguanil free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroguanil free base?
Yes, KEHONG BIO provides custom synthesis services for Nitroguanil free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.