1H-Benzotriazole, compd. with cyclohexanamine (1:1)
TL;DR: 1H-Benzotriazole, compd. with cyclohexanamine (1:1) (CAS 90683-27-5) is a chemical compound with molecular formula C12H18N4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-benzotriazole;cyclohexanamine
Also Known As: Benzotriazole cyclohexylamine salt, 2H-benzotriazole; cyclohexanamine, 1H-BENZOTRIAZOLE, compd. with CYCLOHEXANAMINE (1:1), Cyclohexanamine--2H-1,2,3-benzotriazole (1/1), RefChem:237674
| Molecular Formula | C12H18N4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 2.24 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.15315 |
| Heavy Atoms | 16 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 90683-27-5 |
|---|---|
| SMILES | C1CCC(CC1)N.C1=CC2=NNN=C2C=C1 |
| InChIKey | KDTDBOTWCCQRPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzotriazole, compd. with cyclohexanamine (1:1) (CAS 90683-27-5), with molecular formula C12H18N4 and molecular weight 218.15 g/mol. IUPAC: 2H-benzotriazole;cyclohexanamine.
Chemical Property Profile of 1H-Benzotriazole, compd. with cyclohexanamine (1:1)
Property Insights of 1H-Benzotriazole, compd. with cyclohexanamine (1:1)
The XLogP value of 2.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole, compd. with cyclohexanamine (1:1). The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazole, compd. with cyclohexanamine (1:1). Following Lipinski's Rule of Five, 1H-Benzotriazole, compd. with cyclohexanamine (1:1) has 2 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 1H-Benzotriazole, compd. with cyclohexanamine (1:1)?
The CAS number of 1H-Benzotriazole, compd. with cyclohexanamine (1:1) is 90683-27-5.
What is the molecular formula of 1H-Benzotriazole, compd. with cyclohexanamine (1:1)?
The molecular formula of 1H-Benzotriazole, compd. with cyclohexanamine (1:1) is C12H18N4.
What is the molecular weight of 1H-Benzotriazole, compd. with cyclohexanamine (1:1)?
The molecular weight of 1H-Benzotriazole, compd. with cyclohexanamine (1:1) is 218.15 g/mol.
Where can I buy 1H-Benzotriazole, compd. with cyclohexanamine (1:1)?
You can request a quote for 1H-Benzotriazole, compd. with cyclohexanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole, compd. with cyclohexanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, compd. with cyclohexanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.