RefChem:1095894
TL;DR: RefChem:1095894 (CAS 23737-32-8) is a chemical compound with molecular formula C23H26N2O6S and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
Also Known As: 11-(4-Methylpiperazino)-6,11-dihydrodibenzo(b,e)thiepin 5,5-dioxide maleate, Piperazine, 1-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-methyl-, S,S-dioxide, maleate (1:1), 1-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-4-methylpiperazine S,S-dioxide maleate, (E)-but-2-enedioic acid; 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide, RefChem:1095894
| Molecular Formula | C23H26N2O6S |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 2.0225 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.15115 |
| Heavy Atoms | 32 |
| Complexity | 1104.8115 |
Chemical Identifiers
| CAS Number | 23737-32-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095894 (CAS 23737-32-8), with molecular formula C23H26N2O6S and molecular weight 458.15 g/mol. IUPAC: (E)-but-2-enedioic acid;11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide.
Chemical Property Profile of RefChem:1095894
Property Insights of RefChem:1095894
The XLogP value of 2.0225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095894. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095894. Following Lipinski's Rule of Five, RefChem:1095894 has 2 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 RefChem:1095894?
The CAS number of RefChem:1095894 is 23737-32-8.
What is the molecular formula of RefChem:1095894?
The molecular formula of RefChem:1095894 is C23H26N2O6S.
What is the molecular weight of RefChem:1095894?
The molecular weight of RefChem:1095894 is 458.15 g/mol.
Where can I buy RefChem:1095894?
You can request a quote for RefChem:1095894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095894?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.