RefChem:1056504
TL;DR: RefChem:1056504 (CAS 4774-28-1) is a chemical compound with molecular formula C25H28N2O6S and molecular weight 484.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;ethyl 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate
Also Known As: 10-(4-Ethoxycarbonylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate, 1-Piperazinecarboxylic acid, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, ethyl ester, maleate (1:1), (Z)-but-2-enedioic acid; ethyl 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate, RefChem:1056504
| Molecular Formula | C25H28N2O6S |
|---|---|
| Molecular Weight | 484.17 g/mol |
| LogP | 3.9209 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.1668 |
| Heavy Atoms | 34 |
| Complexity | 1033.2063 |
Chemical Identifiers
| CAS Number | 4774-28-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1056504 (CAS 4774-28-1), with molecular formula C25H28N2O6S and molecular weight 484.17 g/mol. IUPAC: (Z)-but-2-enedioic acid;ethyl 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate.
Chemical Property Profile of RefChem:1056504
Property Insights of RefChem:1056504
The XLogP value of 3.9209 indicates that RefChem:1056504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056504. Following Lipinski's Rule of Five, RefChem:1056504 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:1056504?
The CAS number of RefChem:1056504 is 4774-28-1.
What is the molecular formula of RefChem:1056504?
The molecular formula of RefChem:1056504 is C25H28N2O6S.
What is the molecular weight of RefChem:1056504?
The molecular weight of RefChem:1056504 is 484.17 g/mol.
Where can I buy RefChem:1056504?
You can request a quote for RefChem:1056504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.