(3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine
TL;DR: (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine (CAS 187235-31-0) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-6-[(4-tert-butylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Also Known As: (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine, (6S)-6-[(4-tert-butylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine, (3S)-3-{[4-(tert-Butyl)phenyl]methoxy}-6-nitro-2H,3H,4H-imidazolo[2,1-b]1,3-oxazaperhydroine
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 187235-31-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CO[C@H]2CN3C=C(N=C3OC2)[N+](=O)[O-] |
| InChIKey | JXLQETUQSQDOTD-AWEZNQCLSA-N |
Product Overview
(3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine (CAS 187235-31-0), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: (6S)-6-[(4-tert-butylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
Chemical Property Profile of (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine
Property Insights of (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine
The XLogP value of 3.3 indicates that (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine. Following Lipinski's Rule of Five, (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine has 0 hydrogen bond donor(s) and 5 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 (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine?
The CAS number of (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine is 187235-31-0.
What is the molecular formula of (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine?
The molecular formula of (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine is C17H21N3O4.
What is the molecular weight of (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine?
The molecular weight of (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine is 331.15 g/mol.
Where can I buy (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine?
You can request a quote for (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-((4-(tert-Butyl)phenyl)methoxy)-6-nitro-2H,3H,4H-imidazolo(2,1-b)1,3-oxazaperhydroine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.