硝酸舍他康唑
TL;DR: 硝酸舍他康唑 (CAS 99592-39-9) is a chemical compound with molecular formula C20H16Cl3N3O4S and molecular weight 498.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸舍他康唑
1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Also Known As: Dermofix, arasertaconazole nitrate, Sertaconazole nitrate, arasertaconazole mononitrate, Sertaconazole nitrate, (R)-
| Molecular Formula | C20H16Cl3N3O4S |
|---|---|
| Molecular Weight | 498.99 g/mol |
| LogP | 6.6684 |
| Topological Polar Surface Area | 90.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.9927 |
| Heavy Atoms | 31 |
| Complexity | 1163.914 |
Chemical Identifiers
| CAS Number | 99592-39-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)SC=C2CO[C@@H](CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-] |
Product Overview
硝酸舍他康唑 (CAS 99592-39-9), with molecular formula C20H16Cl3N3O4S and molecular weight 498.99 g/mol. IUPAC: 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid.
Chemical Property Profile of 硝酸舍他康唑
Property Insights of 硝酸舍他康唑
The XLogP value of 6.6684 indicates that 硝酸舍他康唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝酸舍他康唑. Following Lipinski's Rule of Five, 硝酸舍他康唑 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 硝酸舍他康唑?
The CAS number of 硝酸舍他康唑 is 99592-39-9.
What is the molecular formula of 硝酸舍他康唑?
The molecular formula of 硝酸舍他康唑 is C20H16Cl3N3O4S.
What is the molecular weight of 硝酸舍他康唑?
The molecular weight of 硝酸舍他康唑 is 498.99 g/mol.
Where can I buy 硝酸舍他康唑?
You can request a quote for 硝酸舍他康唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸舍他康唑?
Yes, KEHONG BIO provides custom synthesis services for 硝酸舍他康唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.