Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate (CAS 853751-14-1) is a chemical compound with molecular formula C13H16Cl2N2O5S and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperazine-1-carboxylate
Also Known As: VU0489532-1, F1786-0014, AS-871/43240706, ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate, ethyl 4-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperazine-1-carboxylate
| Molecular Formula | C13H16Cl2N2O5S |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 2.1618 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.0157 |
| Heavy Atoms | 23 |
| Complexity | 702.5616 |
Chemical Identifiers
| CAS Number | 853751-14-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2)Cl)Cl)O |
Product Overview
Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate (CAS 853751-14-1), with molecular formula C13H16Cl2N2O5S and molecular weight 382.02 g/mol. IUPAC: ethyl 4-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate
The XLogP value of 2.1618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate 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-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate is 853751-14-1.
What is the molecular formula of Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate is C13H16Cl2N2O5S.
What is the molecular weight of Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate is 382.02 g/mol.
Where can I buy Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3,5-dichloro-2-hydroxybenzenesulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.