Croconazole Hydrochloride
TL;DR: Croconazole Hydrochloride (CAS 77174-66-4) is a chemical compound with molecular formula C18H16Cl2N2O and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole;hydrochloride
Also Known As: croconazole hydrochloride, Pilzcin, Cloconazole HCl, Croconazole HCl, Cloconazol clorhidrato
| Molecular Formula | C18H16Cl2N2O |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 5.0563 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.06396 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 77174-66-4 |
|---|---|
| SMILES | C=C(C1=CC=CC=C1OCC2=CC(=CC=C2)Cl)N3C=CN=C3.Cl |
| InChIKey | LWJUIYYIILPRRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Croconazole Hydrochloride (CAS 77174-66-4), with molecular formula C18H16Cl2N2O and molecular weight 346.06 g/mol. IUPAC: 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole;hydrochloride.
Chemical Property Profile of Croconazole Hydrochloride
Property Insights of Croconazole Hydrochloride
The XLogP value of 5.0563 indicates that Croconazole Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, Croconazole Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Croconazole Hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Croconazole Hydrochloride?
The CAS number of Croconazole Hydrochloride is 77174-66-4.
What is the molecular formula of Croconazole Hydrochloride?
The molecular formula of Croconazole Hydrochloride is C18H16Cl2N2O.
What is the molecular weight of Croconazole Hydrochloride?
The molecular weight of Croconazole Hydrochloride is 346.06 g/mol.
Where can I buy Croconazole Hydrochloride?
You can request a quote for Croconazole Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Croconazole Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Croconazole Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.