5-Chloro-1-cycloheptyloxybenzotriazole
TL;DR: 5-Chloro-1-cycloheptyloxybenzotriazole (CAS 68230-02-4) is a chemical compound with molecular formula C13H16ClN3O and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-cycloheptyloxybenzotriazole
Also Known As: 5-chloro-1-cycloheptyloxybenzotriazole, 5-Chloro-1-(cycloheptyloxy)-1H-1,2,3-benzotriazole
| Molecular Formula | C13H16ClN3O |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.09818 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 68230-02-4 |
|---|---|
| SMILES | C1CCCC(CC1)ON2C3=C(C=C(C=C3)Cl)N=N2 |
| InChIKey | DQMLPJFBQKSYBT-UHFFFAOYSA-N |
Product Overview
5-Chloro-1-cycloheptyloxybenzotriazole (CAS 68230-02-4), with molecular formula C13H16ClN3O and molecular weight 265.10 g/mol. IUPAC: 5-chloro-1-cycloheptyloxybenzotriazole.
Chemical Property Profile of 5-Chloro-1-cycloheptyloxybenzotriazole
Property Insights of 5-Chloro-1-cycloheptyloxybenzotriazole
The XLogP value of 4.5 indicates that 5-Chloro-1-cycloheptyloxybenzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 5-Chloro-1-cycloheptyloxybenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-cycloheptyloxybenzotriazole has 0 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 5-Chloro-1-cycloheptyloxybenzotriazole?
The CAS number of 5-Chloro-1-cycloheptyloxybenzotriazole is 68230-02-4.
What is the molecular formula of 5-Chloro-1-cycloheptyloxybenzotriazole?
The molecular formula of 5-Chloro-1-cycloheptyloxybenzotriazole is C13H16ClN3O.
What is the molecular weight of 5-Chloro-1-cycloheptyloxybenzotriazole?
The molecular weight of 5-Chloro-1-cycloheptyloxybenzotriazole is 265.10 g/mol.
Where can I buy 5-Chloro-1-cycloheptyloxybenzotriazole?
You can request a quote for 5-Chloro-1-cycloheptyloxybenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-cycloheptyloxybenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-cycloheptyloxybenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.