RefChem:1095862
TL;DR: RefChem:1095862 (CAS 15053-18-6) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methylpiperazine
Also Known As: 1-(4,9-Dihydrothieno(2,3-c)(2)benzothiepin-4-yl)-4-methylpiperazine maleate, Piperazine, 1-(4,9-dihydrothieno(2,3-c)(2)benzothiepin-4-yl)-4-methyl-, maleate (1:1), 4-(4-Methylpiperazino)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin hydrogen maleate, (E)-but-2-enedioic acid; 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methylpiperazine, RefChem:1095862
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 3.4024 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 872.31116 |
Chemical Identifiers
| CAS Number | 15053-18-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(SCC4=CC=CC=C24)SC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095862 (CAS 15053-18-6), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095862
Property Insights of RefChem:1095862
The XLogP value of 3.4024 indicates that RefChem:1095862 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:1095862. Following Lipinski's Rule of Five, RefChem:1095862 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:1095862?
The CAS number of RefChem:1095862 is 15053-18-6.
What is the molecular formula of RefChem:1095862?
The molecular formula of RefChem:1095862 is C21H24N2O4S2.
What is the molecular weight of RefChem:1095862?
The molecular weight of RefChem:1095862 is 432.12 g/mol.
Where can I buy RefChem:1095862?
You can request a quote for RefChem:1095862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095862?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.