CTK4D6558
TL;DR: CTK4D6558 (CAS 17768-70-6) is a chemical compound with molecular formula C19H31N2O3S+ and molecular weight 367.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl-methyl-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]azanium
Also Known As: dibutyl-methyl-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]azanium, N-Butyl-N-methyl-N-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propyl]butan-1-aminium, DIBUTYL-METHYL-[3-(7,9,9-TRIOXO-9-THIA-8-AZABICYCLO[4.3.0]NONA-1,3,5-TRIEN-8-YL)PROPYL]AZANIUM
| Molecular Formula | C19H31N2O3S+ |
|---|---|
| Molecular Weight | 367.21 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 367.20554 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 17768-70-6 |
|---|---|
| SMILES | CCCC[N+](C)(CCCC)CCCN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | DZPXFYARXGZGBV-UHFFFAOYSA-N |
Product Overview
CTK4D6558 (CAS 17768-70-6), with molecular formula C19H31N2O3S+ and molecular weight 367.21 g/mol. IUPAC: dibutyl-methyl-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]azanium.
Chemical Property Profile of CTK4D6558
Property Insights of CTK4D6558
The XLogP value of 3.5 indicates that CTK4D6558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4D6558. Following Lipinski's Rule of Five, CTK4D6558 has 0 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 CTK4D6558?
The CAS number of CTK4D6558 is 17768-70-6.
What is the molecular formula of CTK4D6558?
The molecular formula of CTK4D6558 is C19H31N2O3S+.
What is the molecular weight of CTK4D6558?
The molecular weight of CTK4D6558 is 367.21 g/mol.
Where can I buy CTK4D6558?
You can request a quote for CTK4D6558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4D6558?
Yes, KEHONG BIO provides custom synthesis services for CTK4D6558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.