RefChem:1056670
TL;DR: RefChem:1056670 (CAS 61015-82-5) is a chemical compound with molecular formula C26H30N2O5S2 and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[4-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: VUFB12,254, 4-(8-(Methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate, 1-Piperazinepropanol, 4-(8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), 10-(4-(3-Hydroxypropyl)piperazino)-8-(methylthio)dibenzo(b,f)thiepin maleate, (E)-but-2-enedioic acid; 3-[4-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
| Molecular Formula | C26H30N2O5S2 |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 4.083 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.1596 |
| Heavy Atoms | 35 |
| Complexity | 1078.8998 |
Chemical Identifiers
| CAS Number | 61015-82-5 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)CCCO.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056670 (CAS 61015-82-5), with molecular formula C26H30N2O5S2 and molecular weight 514.16 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of RefChem:1056670
Property Insights of RefChem:1056670
The XLogP value of 4.083 indicates that RefChem:1056670 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056670. Following Lipinski's Rule of Five, RefChem:1056670 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056670?
The CAS number of RefChem:1056670 is 61015-82-5.
What is the molecular formula of RefChem:1056670?
The molecular formula of RefChem:1056670 is C26H30N2O5S2.
What is the molecular weight of RefChem:1056670?
The molecular weight of RefChem:1056670 is 514.16 g/mol.
Where can I buy RefChem:1056670?
You can request a quote for RefChem:1056670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056670?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.