RefChem:1056558
TL;DR: RefChem:1056558 (CAS 73237-55-5) 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-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol
Also Known As: 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide maleate, 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol, RefChem:1056558
| Molecular Formula | C24H27ClN2O6S |
|---|---|
| Molecular Weight | 506.13 g/mol |
| LogP | 3.4227 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.12784 |
| Heavy Atoms | 34 |
| Complexity | 1039.5088 |
Chemical Identifiers
| CAS Number | 73237-55-5 |
|---|---|
| SMILES | C1C[N+](CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)(CCO)[O-].C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056558 (CAS 73237-55-5), with molecular formula C24H27ClN2O6S and molecular weight 506.13 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol.
Chemical Property Profile of RefChem:1056558
Property Insights of RefChem:1056558
The XLogP value of 3.4227 indicates that RefChem:1056558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056558. Following Lipinski's Rule of Five, RefChem:1056558 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:1056558?
The CAS number of RefChem:1056558 is 73237-55-5.
What is the molecular formula of RefChem:1056558?
The molecular formula of RefChem:1056558 is C24H27ClN2O6S.
What is the molecular weight of RefChem:1056558?
The molecular weight of RefChem:1056558 is 506.13 g/mol.
Where can I buy RefChem:1056558?
You can request a quote for RefChem:1056558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056558?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.