5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline
TL;DR: 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline (CAS 53460-82-5) is a chemical compound with molecular formula C10H9ClN2O3 and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole
Also Known As: NIOSH/RP6796000, 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline, 2-Oxazoline, 5-(chloromethyl)-2-(p-nitrophenyl)-, 4-27-00-01107 (Beilstein Handbook Reference), 5-(chloromethyl)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole
| Molecular Formula | C10H9ClN2O3 |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 1.979 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.03017 |
| Heavy Atoms | 16 |
| Complexity | 430.19522 |
Chemical Identifiers
| CAS Number | 53460-82-5 |
|---|---|
| SMILES | C1C(OC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])CCl |
Product Overview
5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline (CAS 53460-82-5), with molecular formula C10H9ClN2O3 and molecular weight 240.03 g/mol. IUPAC: 5-(chloromethyl)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole.
Chemical Property Profile of 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline
Property Insights of 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline
The XLogP value of 1.979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline. Following Lipinski's Rule of Five, 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline 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 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline?
The CAS number of 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline is 53460-82-5.
What is the molecular formula of 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline?
The molecular formula of 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline is C10H9ClN2O3.
What is the molecular weight of 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline?
The molecular weight of 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline is 240.03 g/mol.
Where can I buy 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline?
You can request a quote for 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-2-(p-nitrophenyl)-2-oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.