(1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol
TL;DR: (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol (CAS 898520-11-1) is a chemical compound with molecular formula C20H31N3O and molecular weight 329.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Also Known As: (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol, 2-(3-aminophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
| Molecular Formula | C20H31N3O |
|---|---|
| Molecular Weight | 329.25 g/mol |
| LogP | 2.8461 |
| Topological Polar Surface Area | 52.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.2467 |
| Heavy Atoms | 24 |
| Complexity | 574.65643 |
Chemical Identifiers
| CAS Number | 898520-11-1 |
|---|---|
| SMILES | CCCC12CN3CC(C1O)(CN(C2)C3C4=CC(=CC=C4)N)CCC |
Product Overview
(1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol (CAS 898520-11-1), with molecular formula C20H31N3O and molecular weight 329.25 g/mol. IUPAC: 2-(3-aminophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
Chemical Property Profile of (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol
Property Insights of (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol
The XLogP value of 2.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol. With a topological polar surface area (TPSA) of 52.73 Ų, (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol has 2 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,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol?
The CAS number of (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol is 898520-11-1.
What is the molecular formula of (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol?
The molecular formula of (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol is C20H31N3O.
What is the molecular weight of (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol?
The molecular weight of (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol is 329.25 g/mol.
Where can I buy (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol?
You can request a quote for (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-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,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol?
Yes, KEHONG BIO provides custom synthesis services for (1R,2S,3S,5R,6S,7S)-2-(3-aminophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.