RefChem:1095849
TL;DR: RefChem:1095849 (CAS 74801-58-4) is a chemical compound with molecular formula C28H31ClN2O8S and molecular weight 590.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-(2-chloro-11,12-dihydro-10H-benzo[b][1]benzothiocin-12-yl)-4-methylpiperazine
Also Known As: C20H23ClN2S.2C4H4O4.1/2H2O, C20-H23-Cl-N2-S.2C4-H4-O4.1/2H2-O, Piperazine, 1-(3-chloro-6,7-dihydro-5H-dibenzo(b,g)thiocin-5-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1), 3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate, (E)-but-2-enedioic acid; 1-(2-chloro-11,12-dihydro-10H-benzo[b][1]benzothiocin-12-yl)-4-methylpiperazine
| Molecular Formula | C28H31ClN2O8S |
|---|---|
| Molecular Weight | 590.15 g/mol |
| LogP | 4.1495 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 590.149 |
| Heavy Atoms | 40 |
| Complexity | 1192.6206 |
Chemical Identifiers
| CAS Number | 74801-58-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(SC4=CC=CC=C4CC2)C=CC(=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095849 (CAS 74801-58-4), with molecular formula C28H31ClN2O8S and molecular weight 590.15 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(2-chloro-11,12-dihydro-10H-benzo[b][1]benzothiocin-12-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095849
Property Insights of RefChem:1095849
The XLogP value of 4.1495 indicates that RefChem:1095849 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095849 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095849 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:1095849?
The CAS number of RefChem:1095849 is 74801-58-4.
What is the molecular formula of RefChem:1095849?
The molecular formula of RefChem:1095849 is C28H31ClN2O8S.
What is the molecular weight of RefChem:1095849?
The molecular weight of RefChem:1095849 is 590.15 g/mol.
Where can I buy RefChem:1095849?
You can request a quote for RefChem:1095849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095849?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.