RefChem:1052350
TL;DR: RefChem:1052350 (CAS 78070-23-2) is a chemical compound with molecular formula C24H25ClN2O9S and molecular weight 552.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);N'-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine
Also Known As: 10-(2-Aminoethylamino)-2-chloro-10,11-dihydrodibenzo(b,f)thiepin S-oxide bis(maleate), 1,2-Ethanediamine, N-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; N'-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine, RefChem:1052350
| Molecular Formula | C24H25ClN2O9S |
|---|---|
| Molecular Weight | 552.10 g/mol |
| LogP | 2.0758 |
| Topological Polar Surface Area | 204.32 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.0969 |
| Heavy Atoms | 37 |
| Complexity | 1148.4558 |
Chemical Identifiers
| CAS Number | 78070-23-2 |
|---|---|
| SMILES | C1C2=C(S(=O)C3=CC=CC=C3C1NCCN)C=CC(=C2)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052350 (CAS 78070-23-2), with molecular formula C24H25ClN2O9S and molecular weight 552.10 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N'-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:1052350
Property Insights of RefChem:1052350
The XLogP value of 2.0758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1052350. The TPSA of 204.32 Ų indicates high polarity, suggesting RefChem:1052350 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052350 has 6 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:1052350?
The CAS number of RefChem:1052350 is 78070-23-2.
What is the molecular formula of RefChem:1052350?
The molecular formula of RefChem:1052350 is C24H25ClN2O9S.
What is the molecular weight of RefChem:1052350?
The molecular weight of RefChem:1052350 is 552.10 g/mol.
Where can I buy RefChem:1052350?
You can request a quote for RefChem:1052350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052350?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.