RefChem:1095899
TL;DR: RefChem:1095899 (CAS 58722-26-2) is a chemical compound with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(6-Methoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine (Z)-2-butenedioate, 6-Methoxy-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate, Piperazine, 1-(6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, RefChem:1095899
| Molecular Formula | C24H26N2O5S |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 3.6171 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.15625 |
| Heavy Atoms | 32 |
| Complexity | 1026.4352 |
Chemical Identifiers
| CAS Number | 58722-26-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CC=C4OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095899 (CAS 58722-26-2), with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095899
Property Insights of RefChem:1095899
The XLogP value of 3.6171 indicates that RefChem:1095899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095899. Following Lipinski's Rule of Five, RefChem:1095899 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:1095899?
The CAS number of RefChem:1095899 is 58722-26-2.
What is the molecular formula of RefChem:1095899?
The molecular formula of RefChem:1095899 is C24H26N2O5S.
What is the molecular weight of RefChem:1095899?
The molecular weight of RefChem:1095899 is 454.16 g/mol.
Where can I buy RefChem:1095899?
You can request a quote for RefChem:1095899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.