![(1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one structure](/static/products/416/41645-70-9.png)
(1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
TL;DR: (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CAS 41645-70-9) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-1,2,3,4,5,6-Hexahydro-3-(2-hydroxyethyl)-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, (1R,5S)-3-(2-hydroxyethyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 0.2597 |
| Topological Polar Surface Area | 45.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 468.73242 |
Chemical Identifiers
| CAS Number | 41645-70-9 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CCO |
Product Overview
(1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CAS 41645-70-9), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Property Insights of (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
The XLogP value of 0.2597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one. With a topological polar surface area (TPSA) of 45.47 Ų, (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has 1 hydrogen bond donor(s) and 3 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,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The CAS number of (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is 41645-70-9.
What is the molecular formula of (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The molecular formula of (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is C13H18N2O2.
What is the molecular weight of (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The molecular weight of (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is 234.14 g/mol.
Where can I buy (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
You can request a quote for (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-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,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,9S)-11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.