RefChem:1056589
TL;DR: RefChem:1056589 (CAS 61015-78-9) is a chemical compound with molecular formula C24H27ClN2O6S and molecular weight 506.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Also Known As: VUFB10,047, 8-Chloro-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate, 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
| Molecular Formula | C24H27ClN2O6S |
|---|---|
| Molecular Weight | 506.13 g/mol |
| LogP | 2.4256 |
| Topological Polar Surface Area | 118.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.12784 |
| Heavy Atoms | 34 |
| Complexity | 1068.8829 |
Chemical Identifiers
| CAS Number | 61015-78-9 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056589 (CAS 61015-78-9), with molecular formula C24H27ClN2O6S and molecular weight 506.13 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1056589
Property Insights of RefChem:1056589
The XLogP value of 2.4256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056589. The TPSA of 118.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056589. Following Lipinski's Rule of Five, RefChem:1056589 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056589?
The CAS number of RefChem:1056589 is 61015-78-9.
What is the molecular formula of RefChem:1056589?
The molecular formula of RefChem:1056589 is C24H27ClN2O6S.
What is the molecular weight of RefChem:1056589?
The molecular weight of RefChem:1056589 is 506.13 g/mol.
Where can I buy RefChem:1056589?
You can request a quote for RefChem:1056589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056589?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.