Nitroguanil
TL;DR: Nitroguanil (CAS 51-58-1) is a chemical compound with molecular formula C8H10ClN5O3 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-3-(4-nitrophenyl)urea;hydrochloride
Also Known As: NITROGUANIL, 1-p-Nitrophenyl-3-amidinourea hydrochloride, 3-(p-Nitrophenyl)-1-amidinourea hydrochloride, 3-Amidino-1-p-nitrophenylurea hydrochloride, Urea, 1-amidino-3-(p-nitrophenyl)-, monohydrochloride
| Molecular Formula | C8H10ClN5O3 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.82 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0472 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 51-58-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N=C(N)N)[N+](=O)[O-].Cl |
| InChIKey | DPAWTAYKXUVQSN-UHFFFAOYSA-N |
Product Overview
Nitroguanil (CAS 51-58-1), with molecular formula C8H10ClN5O3 and molecular weight 259.05 g/mol. IUPAC: 1-(diaminomethylidene)-3-(4-nitrophenyl)urea;hydrochloride.
Chemical Property Profile of Nitroguanil
Property Insights of Nitroguanil
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitroguanil. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroguanil. Following Lipinski's Rule of Five, Nitroguanil has 4 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?
The CAS number of Nitroguanil is 51-58-1.
What is the molecular formula of Nitroguanil?
The molecular formula of Nitroguanil is C8H10ClN5O3.
What is the molecular weight of Nitroguanil?
The molecular weight of Nitroguanil is 259.05 g/mol.
Where can I buy Nitroguanil?
You can request a quote for Nitroguanil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroguanil?
Yes, KEHONG BIO provides custom synthesis services for Nitroguanil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.