![1H-Indole,1-[(4-chlorophenyl)methyl] structure](/static/products/856/85607-45-0.png)
1H-Indole,1-[(4-chlorophenyl)methyl]
TL;DR: 1H-Indole,1-[(4-chlorophenyl)methyl] (CAS 85607-45-0) is a chemical compound with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-2-thiophen-2-ylpiperazin-1-yl)ethyl 2-(4-chlorophenoxy)acetate
Also Known As: 1H-Indole,1-[(4-chlorophenyl)methyl], 2-(3-Oxo-2-(2-thienyl)-1-piperazinyl)ethyl (4-chlorophenoxy)acetate, Acetic acid, (4-chlorophenoxy)-, 2-(3-oxo-2-(2-thienyl)-1-piperazinyl)ethyl ester, 2-(3-oxo-2-(2-thienyl)-1-piperazinyl)ethyl(4-chlorophenoxy)acetate, 2-(3-oxo-2-thiophen-2-ylpiperazin-1-yl)ethyl 2-(4-chlorophenoxy)acetate
| Molecular Formula | C18H19ClN2O4S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.4966 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.0754 |
| Heavy Atoms | 26 |
| Complexity | 736.1592 |
Chemical Identifiers
| CAS Number | 85607-45-0 |
|---|---|
| SMILES | C1CN(C(C(=O)N1)C2=CC=CS2)CCOC(=O)COC3=CC=C(C=C3)Cl |
Product Overview
1H-Indole,1-[(4-chlorophenyl)methyl] (CAS 85607-45-0), with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol. IUPAC: 2-(3-oxo-2-thiophen-2-ylpiperazin-1-yl)ethyl 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of 1H-Indole,1-[(4-chlorophenyl)methyl]
Property Insights of 1H-Indole,1-[(4-chlorophenyl)methyl]
The XLogP value of 2.4966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole,1-[(4-chlorophenyl)methyl]. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole,1-[(4-chlorophenyl)methyl]. Following Lipinski's Rule of Five, 1H-Indole,1-[(4-chlorophenyl)methyl] has 1 hydrogen bond donor(s) and 6 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 1H-Indole,1-[(4-chlorophenyl)methyl]?
The CAS number of 1H-Indole,1-[(4-chlorophenyl)methyl] is 85607-45-0.
What is the molecular formula of 1H-Indole,1-[(4-chlorophenyl)methyl]?
The molecular formula of 1H-Indole,1-[(4-chlorophenyl)methyl] is C18H19ClN2O4S.
What is the molecular weight of 1H-Indole,1-[(4-chlorophenyl)methyl]?
The molecular weight of 1H-Indole,1-[(4-chlorophenyl)methyl] is 394.08 g/mol.
Where can I buy 1H-Indole,1-[(4-chlorophenyl)methyl]?
You can request a quote for 1H-Indole,1-[(4-chlorophenyl)methyl] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole,1-[(4-chlorophenyl)methyl]?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole,1-[(4-chlorophenyl)methyl] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.