![4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine structure](/static/products/866/866157-34-8.png)
4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine
TL;DR: 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine (CAS 866157-34-8) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine
Also Known As: 4,4-dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine, 4,4-dimethyl-3-(4-nitrobenzyl)-1,3-oxazolane, 4,4-dimethyl-3-[(4-nitrophenyl)methyl]oxazolidine
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.1631 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 414.26385 |
Chemical Identifiers
| CAS Number | 866157-34-8 |
|---|---|
| SMILES | CC1(COCN1CC2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine (CAS 866157-34-8), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 4,4-dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine.
Chemical Property Profile of 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine
Property Insights of 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine
The XLogP value of 2.1631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine. With a topological polar surface area (TPSA) of 55.61 Ų, 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine 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 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine?
The CAS number of 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine is 866157-34-8.
What is the molecular formula of 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine?
The molecular formula of 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine is C12H16N2O3.
What is the molecular weight of 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine?
The molecular weight of 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine is 236.12 g/mol.
Where can I buy 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine?
You can request a quote for 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-[(4-nitrophenyl)methyl]-1,3-oxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.