RefChem:1052353
TL;DR: RefChem:1052353 (CAS 84964-57-8) is a chemical compound with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N'-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine
Also Known As: 11-(2-Aminoethylamino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin maleate, 1,2-Ethanediamine, N-(6,11-dihydro-11-phenyldibenzo(b,e)thiepin-11-yl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; N'-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine, RefChem:1052353
| Molecular Formula | C26H26N2O4S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 3.8443 |
| Topological Polar Surface Area | 112.65 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.16132 |
| Heavy Atoms | 33 |
| Complexity | 1068.4005 |
Chemical Identifiers
| CAS Number | 84964-57-8 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(C3=CC=CC=C3S1)(C4=CC=CC=C4)NCCN.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052353 (CAS 84964-57-8), with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol. IUPAC: (E)-but-2-enedioic acid;N'-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:1052353
Property Insights of RefChem:1052353
The XLogP value of 3.8443 indicates that RefChem:1052353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.65 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052353. Following Lipinski's Rule of Five, RefChem:1052353 has 4 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:1052353?
The CAS number of RefChem:1052353 is 84964-57-8.
What is the molecular formula of RefChem:1052353?
The molecular formula of RefChem:1052353 is C26H26N2O4S.
What is the molecular weight of RefChem:1052353?
The molecular weight of RefChem:1052353 is 462.16 g/mol.
Where can I buy RefChem:1052353?
You can request a quote for RefChem:1052353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052353?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.