4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol
TL;DR: 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol (CAS 129586-32-9) is a chemical compound with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol
Also Known As: huanjunzuo, Ssf 109, 4-Chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol, 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol, 1-(4-chlorophenyl)-2-(1h-1,2,4-triazol-1-yl)cycloheptanol
| Molecular Formula | C15H18ClN3O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.11383 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 129586-32-9 |
|---|---|
| SMILES | C1CCC(C(CC1)(C2=CC=C(C=C2)Cl)O)N3C=NC=N3 |
| InChIKey | WRGKWWRFSUGDPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol (CAS 129586-32-9), with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol.
Chemical Property Profile of 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol
Property Insights of 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol
The XLogP value of 3.0 indicates that 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol has 1 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 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol?
The CAS number of 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol is 129586-32-9.
What is the molecular formula of 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol?
The molecular formula of 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol is C15H18ClN3O.
What is the molecular weight of 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol?
The molecular weight of 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol is 291.11 g/mol.
Where can I buy 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol?
You can request a quote for 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.