![(5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/905/905427-74-9.png)
(5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 905427-74-9) is a chemical compound with molecular formula C17H21BrN2O2 and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one, 2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C17H21BrN2O2 |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.07864 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 905427-74-9 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=C(C=CC(=C4)Br)OC)C |
| InChIKey | OEMLCZRQEJOVSV-UHFFFAOYSA-N |
Product Overview
(5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 905427-74-9), with molecular formula C17H21BrN2O2 and molecular weight 364.08 g/mol. IUPAC: 2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. With a topological polar surface area (TPSA) of 32.8 Ų, (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one has 0 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 (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 905427-74-9.
What is the molecular formula of (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C17H21BrN2O2.
What is the molecular weight of (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 364.08 g/mol.
Where can I buy (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.