1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride
TL;DR: 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride (CAS 1170909-72-4) is a chemical compound with molecular formula C9H13ClN6O2 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-(2-methyl-5-nitrophenyl)guanidine;hydrochloride
Also Known As: 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride, 1-(2-Methyl-5-nitrophenyl)biguanide, HCl, 1-(2-Methyl-5-nitrophenyl)biguanide HCl, 1-(2-Methyl-5-nitrophenyl)biguanidehydrochloride, Imidodicarbonimidic diamide, N-(2-methyl-5-nitrophenyl)-, hydrochloride (1:1)
| Molecular Formula | C9H13ClN6O2 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 0.54462 |
| Topological Polar Surface Area | 145.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.07886 |
| Heavy Atoms | 18 |
| Complexity | 509.77936 |
Chemical Identifiers
| CAS Number | 1170909-72-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N=C(N)N.Cl |
Product Overview
1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride (CAS 1170909-72-4), with molecular formula C9H13ClN6O2 and molecular weight 272.08 g/mol. IUPAC: 1-(diaminomethylidene)-2-(2-methyl-5-nitrophenyl)guanidine;hydrochloride.
Chemical Property Profile of 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride
Property Insights of 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride
The XLogP value of 0.54462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride. The TPSA of 145.92 Ų indicates high polarity, suggesting 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride 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 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride?
The CAS number of 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride is 1170909-72-4.
What is the molecular formula of 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride?
The molecular formula of 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride is C9H13ClN6O2.
What is the molecular weight of 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride?
The molecular weight of 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride is 272.08 g/mol.
Where can I buy 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride?
You can request a quote for 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.