RefChem:1095704
TL;DR: RefChem:1095704 (CAS 16926-66-2) is a chemical compound with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 10-(4-Methylpiperazino)-11-methyl-10,11-dihydrodibenzo(b,f)thiepin maleate, Piperazine, 1-(10,11-dihydro-11-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), 1-(10,11-Dihydro-11-methyldibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate, (Z)-but-2-enedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, RefChem:1095704
| Molecular Formula | C24H28N2O4S |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 3.9552 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.17697 |
| Heavy Atoms | 31 |
| Complexity | 938.1004 |
Chemical Identifiers
| CAS Number | 16926-66-2 |
|---|---|
| SMILES | CC1C(C2=CC=CC=C2SC3=CC=CC=C13)N4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1095704 (CAS 16926-66-2), with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095704
Property Insights of RefChem:1095704
The XLogP value of 3.9552 indicates that RefChem:1095704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095704. Following Lipinski's Rule of Five, RefChem:1095704 has 2 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 RefChem:1095704?
The CAS number of RefChem:1095704 is 16926-66-2.
What is the molecular formula of RefChem:1095704?
The molecular formula of RefChem:1095704 is C24H28N2O4S.
What is the molecular weight of RefChem:1095704?
The molecular weight of RefChem:1095704 is 440.18 g/mol.
Where can I buy RefChem:1095704?
You can request a quote for RefChem:1095704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095704?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.