S,S-Efinaconazole
TL;DR: S,S-Efinaconazole (CAS 2055038-61-2) is a chemical compound with molecular formula C18H22F2N4O and molecular weight 348.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: EFINACONAZOLE, S,S-Efinaconazole, Efinaconazole (SR) diastereomer, Kp 103, J3.331.850B
| Molecular Formula | C18H22F2N4O |
|---|---|
| Molecular Weight | 348.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.17618 |
| Heavy Atoms | 25 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 2055038-61-2 |
|---|---|
| SMILES | CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3 |
| InChIKey | NFEZZTICAUWDHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S,S-Efinaconazole (CAS 2055038-61-2), with molecular formula C18H22F2N4O and molecular weight 348.18 g/mol. IUPAC: 2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of S,S-Efinaconazole
Property Insights of S,S-Efinaconazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,S-Efinaconazole. With a topological polar surface area (TPSA) of 54.2 Ų, S,S-Efinaconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S,S-Efinaconazole has 1 hydrogen bond donor(s) and 6 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 S,S-Efinaconazole?
The CAS number of S,S-Efinaconazole is 2055038-61-2.
What is the molecular formula of S,S-Efinaconazole?
The molecular formula of S,S-Efinaconazole is C18H22F2N4O.
What is the molecular weight of S,S-Efinaconazole?
The molecular weight of S,S-Efinaconazole is 348.18 g/mol.
Where can I buy S,S-Efinaconazole?
You can request a quote for S,S-Efinaconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S-Efinaconazole?
Yes, KEHONG BIO provides custom synthesis services for S,S-Efinaconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.