![2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride structure](/static/products/1000/100098-73-5.webp)
2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
TL;DR: 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride (CAS 100098-73-5) is a chemical compound with molecular formula C13H14Cl2N2O3 and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Also Known As: (E)-2-(4-Chloro-3-nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride, Oxazole, 4,5-dihydro-2-(2-(4-chloro-3-nitrophenyl)ethenyl)-4,4-dimethyl-, monohydrochloride, (E)-
| Molecular Formula | C13H14Cl2N2O3 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 3.8905 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.03815 |
| Heavy Atoms | 20 |
| Complexity | 582.97906 |
Chemical Identifiers
| CAS Number | 100098-73-5 |
|---|---|
| SMILES | CC1(COC(=N1)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C.Cl |
Product Overview
2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride (CAS 100098-73-5), with molecular formula C13H14Cl2N2O3 and molecular weight 316.04 g/mol. IUPAC: 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
Chemical Property Profile of 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Property Insights of 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
The XLogP value of 3.8905 indicates that 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride. Following Lipinski's Rule of Five, 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride has 0 hydrogen bond donor(s) and 4 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 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The CAS number of 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is 100098-73-5.
What is the molecular formula of 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The molecular formula of 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is C13H14Cl2N2O3.
What is the molecular weight of 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The molecular weight of 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is 316.04 g/mol.
Where can I buy 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
You can request a quote for 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-chloro-3-nitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.