RefChem:1084511
TL;DR: RefChem:1084511 (CAS 58722-10-4) is a chemical compound with molecular formula C29H32N2O9S and molecular weight 584.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone
Also Known As: Ethanone, 1-(10,11-dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate (1:2), 1-(10,11-Dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)ethanone maleate (1:2), 2-Acetyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate), ETHANONE, 1-(10,11-DIHYDRO-10-(4-METHYL-1-PIPERAZINYL)DIBENZO(b,f)THIEPIN-2-YL)-, (Z)-but-2-enedioic acid; 1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone
| Molecular Formula | C29H32N2O9S |
|---|---|
| Molecular Weight | 584.18 g/mol |
| LogP | 3.3086 |
| Topological Polar Surface Area | 172.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 584.18286 |
| Heavy Atoms | 41 |
| Complexity | 1265.3173 |
Chemical Identifiers
| CAS Number | 58722-10-4 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(SC3=CC=CC=C3C(C2)N4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1084511 (CAS 58722-10-4), with molecular formula C29H32N2O9S and molecular weight 584.18 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone.
Chemical Property Profile of RefChem:1084511
Property Insights of RefChem:1084511
The XLogP value of 3.3086 indicates that RefChem:1084511 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.75 Ų indicates high polarity, suggesting RefChem:1084511 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084511 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084511?
The CAS number of RefChem:1084511 is 58722-10-4.
What is the molecular formula of RefChem:1084511?
The molecular formula of RefChem:1084511 is C29H32N2O9S.
What is the molecular weight of RefChem:1084511?
The molecular weight of RefChem:1084511 is 584.18 g/mol.
Where can I buy RefChem:1084511?
You can request a quote for RefChem:1084511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084511?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.