奈替康唑
TL;DR: 奈替康唑 (CAS 130726-68-0) is a chemical compound with molecular formula C17H22N2OS and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奈替康唑
1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
Also Known As: Neticonazole, SS-717;SS 717;SS717, 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole, 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-, 1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
| Molecular Formula | C17H22N2OS |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.1453 |
| Heavy Atoms | 21 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 130726-68-0 |
|---|---|
| SMILES | CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2 |
| InChIKey | VWOIKFDZQQLJBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奈替康唑 (CAS 130726-68-0), with molecular formula C17H22N2OS and molecular weight 302.15 g/mol. IUPAC: 1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole.
Chemical Property Profile of 奈替康唑
Property Insights of 奈替康唑
The XLogP value of 4.1 indicates that 奈康唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, 奈替康唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奈康唑 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 奈康唑?
The CAS number of 奈康唑 is 130726-68-0.
What is the molecular formula of 奈康唑?
The molecular formula of 奈康唑 is C17H22N2OS.
What is the molecular weight of 奈康唑?
The molecular weight of 奈康唑 is 302.15 g/mol.
Where can I buy 奈康唑?
You can request a quote for 奈康唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奈康唑?
Yes, KEHONG BIO provides custom synthesis services for 奈康唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.