Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate
TL;DR: Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate (CAS 2791-93-7) is a chemical compound with molecular formula C18H20N2O6S2 and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate
Also Known As: DivK1c_004563, CDS1_003523, BAS 02209037, BIM-0011097.P001, AB00104312-01
| Molecular Formula | C18H20N2O6S2 |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 0.9234 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.0763 |
| Heavy Atoms | 28 |
| Complexity | 1039.9982 |
Chemical Identifiers
| CAS Number | 2791-93-7 |
|---|---|
| SMILES | COC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate (CAS 2791-93-7), with molecular formula C18H20N2O6S2 and molecular weight 424.08 g/mol. IUPAC: methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate.
Chemical Property Profile of Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate
Property Insights of Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate
The XLogP value of 0.9234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate has 0 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 Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate?
The CAS number of Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate is 2791-93-7.
What is the molecular formula of Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate?
The molecular formula of Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate is C18H20N2O6S2.
What is the molecular weight of Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate?
The molecular weight of Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate is 424.08 g/mol.
Where can I buy Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate?
You can request a quote for Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.