(E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime
TL;DR: (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime (CAS 149034-87-7) is a chemical compound with molecular formula C14H17N5O3 and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(4-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydroxylamine
Also Known As: (4-nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone oxime, (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime
| Molecular Formula | C14H17N5O3 |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 0.5788 |
| Topological Polar Surface Area | 85.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.13315 |
| Heavy Atoms | 22 |
| Complexity | 607.0991 |
Chemical Identifiers
| CAS Number | 149034-87-7 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)/C(=N/O)/C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime (CAS 149034-87-7), with molecular formula C14H17N5O3 and molecular weight 303.13 g/mol. IUPAC: (NE)-N-[(4-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydroxylamine.
Chemical Property Profile of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime
Property Insights of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime
The XLogP value of 0.5788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime. The TPSA of 85.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime. Following Lipinski's Rule of Five, (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime has 1 hydrogen bond donor(s) and 7 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 (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime?
The CAS number of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime is 149034-87-7.
What is the molecular formula of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime?
The molecular formula of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime is C14H17N5O3.
What is the molecular weight of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime?
The molecular weight of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime is 303.13 g/mol.
Where can I buy (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime?
You can request a quote for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(4-nitrophenyl)methanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.