1-Cyclopentyloxy-6-nitro-benzotriazole
TL;DR: 1-Cyclopentyloxy-6-nitro-benzotriazole (CAS 84670-12-2) is a chemical compound with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyloxy-6-nitrobenzotriazole
Also Known As: 1-cyclopentyloxy-6-nitro-benzotriazole, 1-cyclopentyloxy-6-nitrobenzotriazole, 1,3,6,6-tetramethyl-7H-pyrano[4,3-c]pyrazol-4-one, 1-(Cyclopentyloxy)-6-nitro-1H-1,2,3-benzotriazole, 6-ethyl-1,3-dimethyl-6,7-dihydropyrano[4,3-c]pyrazol-4-one
| Molecular Formula | C11H12N4O3 |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09094 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 84670-12-2 |
|---|---|
| SMILES | C1CCC(C1)ON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2 |
| InChIKey | TVBXWIZOGHJXTF-UHFFFAOYSA-N |
Product Overview
1-Cyclopentyloxy-6-nitro-benzotriazole (CAS 84670-12-2), with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol. IUPAC: 1-cyclopentyloxy-6-nitrobenzotriazole.
Chemical Property Profile of 1-Cyclopentyloxy-6-nitro-benzotriazole
Property Insights of 1-Cyclopentyloxy-6-nitro-benzotriazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopentyloxy-6-nitro-benzotriazole. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyclopentyloxy-6-nitro-benzotriazole. Following Lipinski's Rule of Five, 1-Cyclopentyloxy-6-nitro-benzotriazole has 0 hydrogen bond donor(s) and 5 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-Cyclopentyloxy-6-nitro-benzotriazole?
The CAS number of 1-Cyclopentyloxy-6-nitro-benzotriazole is 84670-12-2.
What is the molecular formula of 1-Cyclopentyloxy-6-nitro-benzotriazole?
The molecular formula of 1-Cyclopentyloxy-6-nitro-benzotriazole is C11H12N4O3.
What is the molecular weight of 1-Cyclopentyloxy-6-nitro-benzotriazole?
The molecular weight of 1-Cyclopentyloxy-6-nitro-benzotriazole is 248.09 g/mol.
Where can I buy 1-Cyclopentyloxy-6-nitro-benzotriazole?
You can request a quote for 1-Cyclopentyloxy-6-nitro-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopentyloxy-6-nitro-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopentyloxy-6-nitro-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.