RefChem:1095739
TL;DR: RefChem:1095739 (CAS 54997-55-6) is a chemical compound with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 8-Ethyl-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate, 1-(10,11-Dihydro-8-ethyldibenzo(b,f)thiepin-10-yl)piperazine maleate, Piperazine, 1-(10,11-dihydro-8-ethyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, RefChem:1095739
| Molecular Formula | C24H28N2O4S |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 3.6144 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.17697 |
| Heavy Atoms | 31 |
| Complexity | 938.3455 |
Chemical Identifiers
| CAS Number | 54997-55-6 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095739 (CAS 54997-55-6), with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095739
Property Insights of RefChem:1095739
The XLogP value of 3.6144 indicates that RefChem:1095739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095739. Following Lipinski's Rule of Five, RefChem:1095739 has 3 hydrogen bond donor(s) and 5 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:1095739?
The CAS number of RefChem:1095739 is 54997-55-6.
What is the molecular formula of RefChem:1095739?
The molecular formula of RefChem:1095739 is C24H28N2O4S.
What is the molecular weight of RefChem:1095739?
The molecular weight of RefChem:1095739 is 440.18 g/mol.
Where can I buy RefChem:1095739?
You can request a quote for RefChem:1095739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.