RefChem:1096021
TL;DR: RefChem:1096021 (CAS 79332-60-8) is a chemical compound with molecular formula C27H27Cl3N2O8S and molecular weight 644.06 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-methyl-4-(1,3,8-trichloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
Also Known As: 2,4,8-Trichloro-10-(4-methylpiperazino)-1O,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate), Piperazine, 1-methyl-4-(2,4,8-trichloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 1-methyl-4-(1,3,8-trichloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine, RefChem:1096021
| Molecular Formula | C27H27Cl3N2O8S |
|---|---|
| Molecular Weight | 644.06 g/mol |
| LogP | 5.0662 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 644.05536 |
| Heavy Atoms | 41 |
| Complexity | 1278.0814 |
Chemical Identifiers
| CAS Number | 79332-60-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(SC4=C(C2)C=C(C=C4Cl)Cl)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1096021 (CAS 79332-60-8), with molecular formula C27H27Cl3N2O8S and molecular weight 644.06 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-methyl-4-(1,3,8-trichloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine.
Chemical Property Profile of RefChem:1096021
Property Insights of RefChem:1096021
The XLogP value of 5.0662 indicates that RefChem:1096021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1096021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096021 has 4 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:1096021?
The CAS number of RefChem:1096021 is 79332-60-8.
What is the molecular formula of RefChem:1096021?
The molecular formula of RefChem:1096021 is C27H27Cl3N2O8S.
What is the molecular weight of RefChem:1096021?
The molecular weight of RefChem:1096021 is 644.06 g/mol.
Where can I buy RefChem:1096021?
You can request a quote for RefChem:1096021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096021?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.