RefChem:1096058
TL;DR: RefChem:1096058 (CAS 61015-13-2) is a chemical compound with molecular formula C25H30N2O4S2 and molecular weight 486.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1,2-dimethyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 10-(3,4-Dimethylpiperazino)-8-methylthio-10,11-dihydrodibenzo(b,f)thiepin maleate, Piperazine, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1,2-dimethyl-, (Z)-2-butenedioate (1:1), 4-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1,2-dimethylpiperazine maleate, (E)-but-2-enedioic acid; 1,2-dimethyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, RefChem:1096058
| Molecular Formula | C25H30N2O4S2 |
|---|---|
| Molecular Weight | 486.16 g/mol |
| LogP | 4.5046 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.1647 |
| Heavy Atoms | 33 |
| Complexity | 1011.21655 |
Chemical Identifiers
| CAS Number | 61015-13-2 |
|---|---|
| SMILES | CC1CN(CCN1C)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096058 (CAS 61015-13-2), with molecular formula C25H30N2O4S2 and molecular weight 486.16 g/mol. IUPAC: (E)-but-2-enedioic acid;1,2-dimethyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1096058
Property Insights of RefChem:1096058
The XLogP value of 4.5046 indicates that RefChem:1096058 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:1096058. Following Lipinski's Rule of Five, RefChem:1096058 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:1096058?
The CAS number of RefChem:1096058 is 61015-13-2.
What is the molecular formula of RefChem:1096058?
The molecular formula of RefChem:1096058 is C25H30N2O4S2.
What is the molecular weight of RefChem:1096058?
The molecular weight of RefChem:1096058 is 486.16 g/mol.
Where can I buy RefChem:1096058?
You can request a quote for RefChem:1096058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096058?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.