4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol
TL;DR: 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol (CAS 313270-18-7) is a chemical compound with molecular formula C16H19BrN4O5 and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol
Also Known As: ChemDiv1_028668, 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol, 4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenol
| Molecular Formula | C16H19BrN4O5 |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 1.8553 |
| Topological Polar Surface Area | 112.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.0539 |
| Heavy Atoms | 26 |
| Complexity | 776.85815 |
Chemical Identifiers
| CAS Number | 313270-18-7 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=C(C=CC(=C4)Br)O)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol (CAS 313270-18-7), with molecular formula C16H19BrN4O5 and molecular weight 426.05 g/mol. IUPAC: 4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol.
Chemical Property Profile of 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol
Property Insights of 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol
The XLogP value of 1.8553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol. The TPSA of 112.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol. Following Lipinski's Rule of Five, 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol has 1 hydrogen bond donor(s) and 7 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-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol?
The CAS number of 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol is 313270-18-7.
What is the molecular formula of 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol?
The molecular formula of 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol is C16H19BrN4O5.
What is the molecular weight of 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol?
The molecular weight of 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol is 426.05 g/mol.
Where can I buy 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol?
You can request a quote for 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.