4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol
TL;DR: 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol (CAS 397879-64-0) is a chemical compound with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)benzene-1,3-diol
Also Known As: BAS 02788019, 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol, 4-(5,7-Dimethyl-1,3-diaza-tricyclo[3.3.1.1*3,7*]dec-2-yl)-benzene-1,3-diol, 4-(5,7-DIMETHYL-1,3-DIAZATRICYCLO[3.3.1.1~3,7~]DEC-2-YL)-1,3-BENZENEDIOL, 4-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)benzene-1,3-diol
| Molecular Formula | C16H22N2O2 |
|---|---|
| Molecular Weight | 274.17 g/mol |
| LogP | 2.1439 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.16812 |
| Heavy Atoms | 20 |
| Complexity | 535.59534 |
Chemical Identifiers
| CAS Number | 397879-64-0 |
|---|---|
| SMILES | CC12CC3(CN(C1)C(N(C2)C3)C4=C(C=C(C=C4)O)O)C |
Product Overview
4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol (CAS 397879-64-0), with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol. IUPAC: 4-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)benzene-1,3-diol.
Chemical Property Profile of 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol
Property Insights of 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol
The XLogP value of 2.1439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol. With a topological polar surface area (TPSA) of 46.94 Ų, 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol 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 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol?
The CAS number of 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol is 397879-64-0.
What is the molecular formula of 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol?
The molecular formula of 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol is C16H22N2O2.
What is the molecular weight of 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol?
The molecular weight of 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol is 274.17 g/mol.
Where can I buy 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol?
You can request a quote for 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1r,5R,7S)-5,7-dimethyl-1,3-diazaadamantan-2-yl)benzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.