RefChem:1052349
TL;DR: RefChem:1052349 (CAS 78070-22-1) is a chemical compound with molecular formula C24H25ClN2O8S and molecular weight 536.10 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-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine
Also Known As: N-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1,2-ethanediamine dimaleate, 1,2-Ethanediamine, N-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2), 10-(2-Aminoethylamino)-2-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate), (E)-but-2-enedioic acid; N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine, RefChem:1052349
| Molecular Formula | C24H25ClN2O8S |
|---|---|
| Molecular Weight | 536.10 g/mol |
| LogP | 3.0603 |
| Topological Polar Surface Area | 187.25 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.102 |
| Heavy Atoms | 36 |
| Complexity | 1070.8496 |
Chemical Identifiers
| CAS Number | 78070-22-1 |
|---|---|
| SMILES | C1C2=C(SC3=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:1052349 (CAS 78070-22-1), with molecular formula C24H25ClN2O8S and molecular weight 536.10 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:1052349
Property Insights of RefChem:1052349
The XLogP value of 3.0603 indicates that RefChem:1052349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.25 Ų indicates high polarity, suggesting RefChem:1052349 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052349 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:1052349?
The CAS number of RefChem:1052349 is 78070-22-1.
What is the molecular formula of RefChem:1052349?
The molecular formula of RefChem:1052349 is C24H25ClN2O8S.
What is the molecular weight of RefChem:1052349?
The molecular weight of RefChem:1052349 is 536.10 g/mol.
Where can I buy RefChem:1052349?
You can request a quote for RefChem:1052349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052349?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.