RefChem:205093
TL;DR: RefChem:205093 (CAS 31946-83-5) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-11-prop-2-ynyl-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-propyn-1-yl)-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, (1R,5S)-1,2,3,4,5,6-Hexahydro-3-(2-propyn-1-yl)-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, (1R,5S)-3-(Prop-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, RefChem:205093
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 0.9006 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 525.75916 |
Chemical Identifiers
| CAS Number | 31946-83-5 |
|---|---|
| SMILES | C#CCN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2 |
Product Overview
RefChem:205093 (CAS 31946-83-5), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: (1R,9S)-11-prop-2-ynyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of RefChem:205093
Property Insights of RefChem:205093
The XLogP value of 0.9006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:205093. With a topological polar surface area (TPSA) of 25.24 Ų, RefChem:205093 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:205093 has 0 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 RefChem:205093?
The CAS number of RefChem:205093 is 31946-83-5.
What is the molecular formula of RefChem:205093?
The molecular formula of RefChem:205093 is C14H16N2O.
What is the molecular weight of RefChem:205093?
The molecular weight of RefChem:205093 is 228.13 g/mol.
Where can I buy RefChem:205093?
You can request a quote for RefChem:205093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:205093?
Yes, KEHONG BIO provides custom synthesis services for RefChem:205093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.