硝酸布康唑
TL;DR: 硝酸布康唑 (CAS 64872-77-1) is a chemical compound with molecular formula C19H18Cl3N3O3S and molecular weight 473.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸布康唑
1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
Also Known As: BUTOCONAZOLE NITRATE, Femstat, Gynomyk, Exelgyn, Gynazole
| Molecular Formula | C19H18Cl3N3O3S |
|---|---|
| Molecular Weight | 473.01 g/mol |
| LogP | 6.29 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.01346 |
| Heavy Atoms | 29 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 64872-77-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-] |
| InChIKey | ZHPWRQIPPNZNML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸布康唑 (CAS 64872-77-1), with molecular formula C19H18Cl3N3O3S and molecular weight 473.01 g/mol. IUPAC: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid.
Chemical Property Profile of 硝酸布康唑
Property Insights of 硝酸布康唑
The XLogP value of 6.29 indicates that 硝酸布康唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝酸布康唑. Following Lipinski's Rule of Five, 硝酸布康唑 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硝酸布康唑?
The CAS number of 硝酸布康唑 is 64872-77-1.
What is the molecular formula of 硝酸布康唑?
The molecular formula of 硝酸布康唑 is C19H18Cl3N3O3S.
What is the molecular weight of 硝酸布康唑?
The molecular weight of 硝酸布康唑 is 473.01 g/mol.
Where can I buy 硝酸布康唑?
You can request a quote for 硝酸布康唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸布康唑?
Yes, KEHONG BIO provides custom synthesis services for 硝酸布康唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.