(E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime
TL;DR: (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime (CAS 302802-13-7) is a chemical compound with molecular formula C14H18N4O and molecular weight 258.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydroxylamine
Also Known As: BAS 00337621, (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime, Phenyl-(1,3,5-triaza-tricyclo[3.3.1.1*3,7*]dec-7-yl)-methanone oxime, (E)-N-hydroxy-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanimine
| Molecular Formula | C14H18N4O |
|---|---|
| Molecular Weight | 258.15 g/mol |
| LogP | 0.6706 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.14807 |
| Heavy Atoms | 19 |
| Complexity | 478.15286 |
Chemical Identifiers
| CAS Number | 302802-13-7 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)/C(=N/O)/C4=CC=CC=C4 |
Product Overview
(E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime (CAS 302802-13-7), with molecular formula C14H18N4O and molecular weight 258.15 g/mol. IUPAC: (NE)-N-[phenyl(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)(phenyl)methanone oxime
Property Insights of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime
The XLogP value of 0.6706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime. With a topological polar surface area (TPSA) of 42.31 Ų, (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime has 1 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 (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime?
The CAS number of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime is 302802-13-7.
What is the molecular formula of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime?
The molecular formula of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime is C14H18N4O.
What is the molecular weight of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime?
The molecular weight of (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime is 258.15 g/mol.
Where can I buy (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime?
You can request a quote for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)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)(phenyl)methanone oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)(phenyl)methanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.