奥莫拉唑
TL;DR: 奥莫拉唑 (CAS 111122-37-3) is a chemical compound with molecular formula C20H17Cl3N2O2 and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥莫拉唑
1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole
Also Known As: Omoconazole, Omoconazol, Omoconazolum, Omoconazole [INN], Afongan
| Molecular Formula | C20H17Cl3N2O2 |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 6.2846 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.03555 |
| Heavy Atoms | 27 |
| Complexity | 922.9097 |
Chemical Identifiers
| CAS Number | 111122-37-3 |
|---|---|
| SMILES | C/C(=C(\C1=C(C=C(C=C1)Cl)Cl)/OCCOC2=CC=C(C=C2)Cl)/N3C=CN=C3 |
Product Overview
奥莫拉唑 (CAS 111122-37-3), with molecular formula C20H17Cl3N2O2 and molecular weight 422.04 g/mol. IUPAC: 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole.
Chemical Property Profile of 奥莫拉唑
Property Insights of 奥莫拉唑
The XLogP value of 6.2846 indicates that 奥莫拉唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.28 Ų, 奥莫拉唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥莫拉唑 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 奥莫拉唑?
The CAS number of 奥莫拉唑 is 111122-37-3.
What is the molecular formula of 奥莫拉唑?
The molecular formula of 奥莫拉唑 is C20H17Cl3N2O2.
What is the molecular weight of 奥莫拉唑?
The molecular weight of 奥莫拉唑 is 422.04 g/mol.
Where can I buy 奥莫拉唑?
You can request a quote for 奥莫拉唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥莫拉唑?
Yes, KEHONG BIO provides custom synthesis services for 奥莫拉唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.