2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
TL;DR: 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine (CAS 68480-34-2) is a chemical compound with molecular formula C15H18N8 and molecular weight 310.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
Also Known As: 1-(o-Tolyl)biguanide, compound with 1H-benzotriazole (1:1), 2H-benzotriazole; 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine, Imidodicarbonimidic diamide, N-(2-methylphenyl)-, compd. with 1H-benzotriazole (1:1), IMIDODICARBONIMIDIC DIAMIDE, N-(2-METHYLPHENYL)-, COMPOUND WITH 1H-BENZOTRIAZOLE
| Molecular Formula | C15H18N8 |
|---|---|
| Molecular Weight | 310.17 g/mol |
| LogP | 1.17 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.16544 |
| Heavy Atoms | 23 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 68480-34-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N=C(N)N=C(N)N.C1=CC2=NNN=C2C=C1 |
| InChIKey | RWIWYNOJJDCSJE-UHFFFAOYSA-N |
Product Overview
2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine (CAS 68480-34-2), with molecular formula C15H18N8 and molecular weight 310.17 g/mol. IUPAC: 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine.
Chemical Property Profile of 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
Property Insights of 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
The XLogP value of 1.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine. The TPSA of 144.0 Ų indicates high polarity, suggesting 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine 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 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine?
The CAS number of 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine is 68480-34-2.
What is the molecular formula of 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine?
The molecular formula of 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine is C15H18N8.
What is the molecular weight of 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine?
The molecular weight of 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine is 310.17 g/mol.
Where can I buy 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine?
You can request a quote for 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2H-benzotriazole;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.