CTK8J4914
TL;DR: CTK8J4914 (CAS 59038-08-3) is a chemical compound with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3-(4-chlorophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Also Known As: 3-[3- allyl]-8-propionyl-3,8-diazabicyclo[3.2.1]octane
| Molecular Formula | C18H23ClN2O |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1499 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 59038-08-3 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)CC=CC3=CC=C(C=C3)Cl |
| InChIKey | RAPDCDUGVAFEGB-UHFFFAOYSA-N |
Product Overview
CTK8J4914 (CAS 59038-08-3), with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol. IUPAC: 1-[3-[3-(4-chlorophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one.
Chemical Property Profile of CTK8J4914
Property Insights of CTK8J4914
The XLogP value of 3.4 indicates that CTK8J4914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, CTK8J4914 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK8J4914 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 CTK8J4914?
The CAS number of CTK8J4914 is 59038-08-3.
What is the molecular formula of CTK8J4914?
The molecular formula of CTK8J4914 is C18H23ClN2O.
What is the molecular weight of CTK8J4914?
The molecular weight of CTK8J4914 is 318.15 g/mol.
Where can I buy CTK8J4914?
You can request a quote for CTK8J4914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8J4914?
Yes, KEHONG BIO provides custom synthesis services for CTK8J4914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.