(5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol
TL;DR: (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol (CAS 671772-83-1) is a chemical compound with molecular formula C20H29N3O3 and molecular weight 359.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Also Known As: (5s,7s)-5,7-diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol, (5s,7s)-2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
| Molecular Formula | C20H29N3O3 |
|---|---|
| Molecular Weight | 359.22 g/mol |
| LogP | 2.8839 |
| Topological Polar Surface Area | 69.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.2209 |
| Heavy Atoms | 26 |
| Complexity | 671.51654 |
Chemical Identifiers
| CAS Number | 671772-83-1 |
|---|---|
| SMILES | CC(C)C12CN3CC(C1O)(CN(C2)C3C4=CC=C(C=C4)[N+](=O)[O-])C(C)C |
Product Overview
(5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol (CAS 671772-83-1), with molecular formula C20H29N3O3 and molecular weight 359.22 g/mol. IUPAC: 2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
Chemical Property Profile of (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol
Property Insights of (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol
The XLogP value of 2.8839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol. The TPSA of 69.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol. Following Lipinski's Rule of Five, (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol 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 (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol?
The CAS number of (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol is 671772-83-1.
What is the molecular formula of (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol?
The molecular formula of (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol is C20H29N3O3.
What is the molecular weight of (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol?
The molecular weight of (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol is 359.22 g/mol.
Where can I buy (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol?
You can request a quote for (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-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 (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol?
Yes, KEHONG BIO provides custom synthesis services for (5s,7s)-5,7-Diisopropyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.