Ethyl 4-(piperazine-1-sulfonyl)benzoate
TL;DR: Ethyl 4-(piperazine-1-sulfonyl)benzoate (CAS 737812-97-4) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-piperazin-1-ylsulfonylbenzoate
Also Known As: ethyl 4-(piperazine-1-sulfonyl)benzoate, 4-(Piperazine-1-sulfonyl)-benzoic acid ethyl ester, ethyl 4-piperazin-1-ylsulfonylbenzoate, ethyl 4-(piperazinylsulfonyl)benzoate, ethyl4-(piperazine-1-sulfonyl)benzoate
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 0.4572 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 562.5389 |
Chemical Identifiers
| CAS Number | 737812-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 |
Product Overview
Ethyl 4-(piperazine-1-sulfonyl)benzoate (CAS 737812-97-4), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: ethyl 4-piperazin-1-ylsulfonylbenzoate.
Chemical Property Profile of Ethyl 4-(piperazine-1-sulfonyl)benzoate
Property Insights of Ethyl 4-(piperazine-1-sulfonyl)benzoate
The XLogP value of 0.4572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(piperazine-1-sulfonyl)benzoate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(piperazine-1-sulfonyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(piperazine-1-sulfonyl)benzoate has 1 hydrogen bond donor(s) and 5 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 Ethyl 4-(piperazine-1-sulfonyl)benzoate?
The CAS number of Ethyl 4-(piperazine-1-sulfonyl)benzoate is 737812-97-4.
What is the molecular formula of Ethyl 4-(piperazine-1-sulfonyl)benzoate?
The molecular formula of Ethyl 4-(piperazine-1-sulfonyl)benzoate is C13H18N2O4S.
What is the molecular weight of Ethyl 4-(piperazine-1-sulfonyl)benzoate?
The molecular weight of Ethyl 4-(piperazine-1-sulfonyl)benzoate is 298.10 g/mol.
Where can I buy Ethyl 4-(piperazine-1-sulfonyl)benzoate?
You can request a quote for Ethyl 4-(piperazine-1-sulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(piperazine-1-sulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(piperazine-1-sulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.