(1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
TL;DR: (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one (CAS 308797-84-4) is a chemical compound with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 02788086, (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one, 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (5s,7s)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C17H22N2O3 |
|---|---|
| Molecular Weight | 302.16 g/mol |
| LogP | 1.6259 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.16306 |
| Heavy Atoms | 22 |
| Complexity | 617.3042 |
Chemical Identifiers
| CAS Number | 308797-84-4 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OC)O)C |
Product Overview
(1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one (CAS 308797-84-4), with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol. IUPAC: 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
Property Insights of (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
The XLogP value of 1.6259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one. With a topological polar surface area (TPSA) of 53.01 Ų, (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one 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 (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The CAS number of (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is 308797-84-4.
What is the molecular formula of (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular formula of (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is C17H22N2O3.
What is the molecular weight of (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular weight of (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is 302.16 g/mol.
Where can I buy (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
You can request a quote for (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-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,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.