RefChem:1078677
TL;DR: RefChem:1078677 (CAS 58722-51-3) is a chemical compound with molecular formula C26H33N3O7S and molecular weight 531.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide
Also Known As: N,N-Diethyl-4-((4-phenyl-1-piperazinyl)acetyl)benzenesulfonamide maleate, Benzenesulfonamide, N,N-diethyl-4-((4-phenyl-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide, RefChem:1078677
| Molecular Formula | C26H33N3O7S |
|---|---|
| Molecular Weight | 531.20 g/mol |
| LogP | 2.4338 |
| Topological Polar Surface Area | 135.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.2039 |
| Heavy Atoms | 37 |
| Complexity | 1154.4108 |
Chemical Identifiers
| CAS Number | 58722-51-3 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1078677 (CAS 58722-51-3), with molecular formula C26H33N3O7S and molecular weight 531.20 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide.
Chemical Property Profile of RefChem:1078677
Property Insights of RefChem:1078677
The XLogP value of 2.4338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078677. The TPSA of 135.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078677. Following Lipinski's Rule of Five, RefChem:1078677 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078677?
The CAS number of RefChem:1078677 is 58722-51-3.
What is the molecular formula of RefChem:1078677?
The molecular formula of RefChem:1078677 is C26H33N3O7S.
What is the molecular weight of RefChem:1078677?
The molecular weight of RefChem:1078677 is 531.20 g/mol.
Where can I buy RefChem:1078677?
You can request a quote for RefChem:1078677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078677?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.