2-氯环己基硫代邻苯二甲酰亚胺
TL;DR: 2-氯环己基硫代邻苯二甲酰亚胺 (CAS 59939-44-5) is a chemical compound with molecular formula C14H14ClNO2S and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯环己基硫代邻苯二甲酰亚胺
4-(2-chlorocyclohexyl)sulfanylisoindole-1,3-dione
Also Known As: 2-Cchtp, 2-Chlorocyclohexylthiophthalimide, 2-Chlorocyclohexylthio-N-phthalimide, 4-(2-chlorocyclohexyl)sulfanylisoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-((2-chlorocyclohexyl)thio)-
| Molecular Formula | C14H14ClNO2S |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.04337 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 59939-44-5 |
|---|---|
| SMILES | C1CCC(C(C1)SC2=CC=CC3=C2C(=O)NC3=O)Cl |
| InChIKey | KLRGNKUMDFZCFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯环己基硫代邻苯二甲酰亚胺 (CAS 59939-44-5), with molecular formula C14H14ClNO2S and molecular weight 295.04 g/mol. IUPAC: 4-(2-chlorocyclohexyl)sulfanylisoindole-1,3-dione.
Chemical Property Profile of 2-氯环己基硫代邻苯二甲酰亚胺
Property Insights of 2-氯环己基硫代邻苯二甲酰亚胺
The XLogP value of 3.2 indicates that 2-氯环己基硫代邻苯二甲酰亚胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯环己基硫代邻苯二甲酰亚胺. Following Lipinski's Rule of Five, 2-氯环己基硫代邻苯二甲酰亚胺 has 1 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 2-氯环己基硫代邻苯二甲酰亚胺?
The CAS number of 2-氯环己基硫代邻苯二甲酰亚胺 is 59939-44-5.
What is the molecular formula of 2-氯环己基硫代邻苯二甲酰亚胺?
The molecular formula of 2-氯环己基硫代邻苯二甲酰亚胺 is C14H14ClNO2S.
What is the molecular weight of 2-氯环己基硫代邻苯二甲酰亚胺?
The molecular weight of 2-氯环己基硫代邻苯二甲酰亚胺 is 295.04 g/mol.
Where can I buy 2-氯环己基硫代邻苯二甲酰亚胺?
You can request a quote for 2-氯环己基硫代邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯环己基硫代邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for 2-氯环己基硫代邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.