CTK4G6517
TL;DR: CTK4G6517 (CAS 31182-82-8) is a chemical compound with molecular formula C23H25ClN2O4S and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[2-(2-chlorophenothiazin-10-yl)cyclobutyl]-N,N-dimethylmethanamine
Also Known As: 1-[2-(2-CHLOROPHENOTHIAZIN-10-YL)CYCLOBUTYL]-N,N-DIMETHYL-METHANAMINE MALEATE
| Molecular Formula | C23H25ClN2O4S |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 4.9947 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.12234 |
| Heavy Atoms | 31 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 31182-82-8 |
|---|---|
| SMILES | CN(C)CC1CCC1N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | KBHDDNJFGTXAEZ-UHFFFAOYSA-N |
Product Overview
CTK4G6517 (CAS 31182-82-8), with molecular formula C23H25ClN2O4S and molecular weight 460.12 g/mol. IUPAC: but-2-enedioic acid;1-[2-(2-chlorophenothiazin-10-yl)cyclobutyl]-N,N-dimethylmethanamine.
Chemical Property Profile of CTK4G6517
Property Insights of CTK4G6517
The XLogP value of 4.9947 indicates that CTK4G6517 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4G6517. Following Lipinski's Rule of Five, CTK4G6517 has 2 hydrogen bond donor(s) and 7 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 CTK4G6517?
The CAS number of CTK4G6517 is 31182-82-8.
What is the molecular formula of CTK4G6517?
The molecular formula of CTK4G6517 is C23H25ClN2O4S.
What is the molecular weight of CTK4G6517?
The molecular weight of CTK4G6517 is 460.12 g/mol.
Where can I buy CTK4G6517?
You can request a quote for CTK4G6517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4G6517?
Yes, KEHONG BIO provides custom synthesis services for CTK4G6517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.