(1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol
TL;DR: (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol (CAS 897836-87-2) is a chemical compound with molecular formula C16H24N2OS and molecular weight 292.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-diethyl-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Also Known As: (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol, 5,7-diethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol, 5,7-diethyl-2-(thiophen-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
| Molecular Formula | C16H24N2OS |
|---|---|
| Molecular Weight | 292.16 g/mol |
| LogP | 2.5452 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.16095 |
| Heavy Atoms | 20 |
| Complexity | 460.58496 |
Chemical Identifiers
| CAS Number | 897836-87-2 |
|---|---|
| SMILES | CCC12CN3CC(C1O)(CN(C2)C3C4=CC=CS4)CC |
Product Overview
(1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol (CAS 897836-87-2), with molecular formula C16H24N2OS and molecular weight 292.16 g/mol. IUPAC: 5,7-diethyl-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
Chemical Property Profile of (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol
Property Insights of (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol
The XLogP value of 2.5452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol. With a topological polar surface area (TPSA) of 26.71 Ų, (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol has 1 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,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol?
The CAS number of (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol is 897836-87-2.
What is the molecular formula of (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol?
The molecular formula of (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol is C16H24N2OS.
What is the molecular weight of (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol?
The molecular weight of (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol is 292.16 g/mol.
Where can I buy (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol?
You can request a quote for (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-5,7-diethyl-2-(thiophen-2-yl)-1,3-diazaadamantan-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.