RefChem:1095900
TL;DR: RefChem:1095900 (CAS 60811-05-4) is a chemical compound with molecular formula C23H22Cl2N2O4S and molecular weight 492.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(2,3-dichlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(7,8-Dichlorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate, Piperazine, 1-(7,8-dichlorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(2,3-dichlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, RefChem:1095900
| Molecular Formula | C23H22Cl2N2O4S |
|---|---|
| Molecular Weight | 492.07 g/mol |
| LogP | 4.9153 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.06772 |
| Heavy Atoms | 32 |
| Complexity | 1063.6613 |
Chemical Identifiers
| CAS Number | 60811-05-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)Cl)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095900 (CAS 60811-05-4), with molecular formula C23H22Cl2N2O4S and molecular weight 492.07 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(2,3-dichlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095900
Property Insights of RefChem:1095900
The XLogP value of 4.9153 indicates that RefChem:1095900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095900. Following Lipinski's Rule of Five, RefChem:1095900 has 2 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:1095900?
The CAS number of RefChem:1095900 is 60811-05-4.
What is the molecular formula of RefChem:1095900?
The molecular formula of RefChem:1095900 is C23H22Cl2N2O4S.
What is the molecular weight of RefChem:1095900?
The molecular weight of RefChem:1095900 is 492.07 g/mol.
Where can I buy RefChem:1095900?
You can request a quote for RefChem:1095900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095900?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.