(1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one
TL;DR: (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one (CAS 672896-96-7) is a chemical compound with molecular formula C18H26N2OS and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-di(propan-2-yl)-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one
| Molecular Formula | C18H26N2OS |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.17657 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 672896-96-7 |
|---|---|
| SMILES | CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=CS4)C(C)C |
| InChIKey | FRJUSGDBPPXZFL-UHFFFAOYSA-N |
Product Overview
(1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one (CAS 672896-96-7), with molecular formula C18H26N2OS and molecular weight 318.18 g/mol. IUPAC: 5,7-di(propan-2-yl)-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one
Property Insights of (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one
The XLogP value of 3.0 indicates that (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one 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 (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one?
The CAS number of (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one is 672896-96-7.
What is the molecular formula of (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one?
The molecular formula of (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one is C18H26N2OS.
What is the molecular weight of (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one?
The molecular weight of (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one is 318.18 g/mol.
Where can I buy (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one?
You can request a quote for (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,5R)-5,7-diisopropyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.