RefChem:1095728
TL;DR: RefChem:1095728 (CAS 41931-88-8) is a chemical compound with molecular formula C24H28N2O5S2 and molecular weight 488.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 1-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate, Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-methyl-4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, RefChem:1095728
| Molecular Formula | C24H28N2O5S2 |
|---|---|
| Molecular Weight | 488.14 g/mol |
| LogP | 3.1316 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.14395 |
| Heavy Atoms | 33 |
| Complexity | 1048.5702 |
Chemical Identifiers
| CAS Number | 41931-88-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095728 (CAS 41931-88-8), with molecular formula C24H28N2O5S2 and molecular weight 488.14 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095728
Property Insights of RefChem:1095728
The XLogP value of 3.1316 indicates that RefChem:1095728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095728. Following Lipinski's Rule of Five, RefChem:1095728 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:1095728?
The CAS number of RefChem:1095728 is 41931-88-8.
What is the molecular formula of RefChem:1095728?
The molecular formula of RefChem:1095728 is C24H28N2O5S2.
What is the molecular weight of RefChem:1095728?
The molecular weight of RefChem:1095728 is 488.14 g/mol.
Where can I buy RefChem:1095728?
You can request a quote for RefChem:1095728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095728?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.