![(1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one structure](/static/products/1162/116-28-9.webp)
(1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one
TL;DR: (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one (CAS 116-28-9) is a chemical compound with molecular formula C15H18N2O and molecular weight 242.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one
Also Known As: (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one
| Molecular Formula | C15H18N2O |
|---|---|
| Molecular Weight | 242.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.1419 |
| Heavy Atoms | 18 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 116-28-9 |
|---|---|
| SMILES | CC=C1[C@H]2CC(=C[C@@]1(C3=C(C2)NC(=O)C=C3)N)C |
| InChIKey | APLHEOBEIBHCHW-ZUZCIYMTSA-N |
Product Overview
(1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one (CAS 116-28-9), with molecular formula C15H18N2O and molecular weight 242.14 g/mol. IUPAC: (1R,9S)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one.
Chemical Property Profile of (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one
Property Insights of (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one. With a topological polar surface area (TPSA) of 55.1 Ų, (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one has 2 hydrogen bond donor(s) and 2 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,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one?
The CAS number of (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one is 116-28-9.
What is the molecular formula of (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one?
The molecular formula of (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one is C15H18N2O.
What is the molecular weight of (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one?
The molecular weight of (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one is 242.14 g/mol.
Where can I buy (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one?
You can request a quote for (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-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,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,11-trien-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.