RefChem:1096247
TL;DR: RefChem:1096247 (CAS 15053-16-4) is a chemical compound with molecular formula C22H22ClNO4S2 and molecular weight 463.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methylpiperidine
Also Known As: 4-(6-Chlorothieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)-1-methylpiperidine maleate, Piperidine, 4-(6-chlorothieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)-1-methyl-, maleate (1:1), 6-Chloro-4-(1-methyl-4-piperidylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin maleate, (E)-but-2-enedioic acid; 4-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methylpiperidine, RefChem:1096247
| Molecular Formula | C22H22ClNO4S2 |
|---|---|
| Molecular Weight | 463.07 g/mol |
| LogP | 5.2465 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 463.06787 |
| Heavy Atoms | 30 |
| Complexity | 986.3165 |
Chemical Identifiers
| CAS Number | 15053-16-4 |
|---|---|
| SMILES | CN1CCC(=C2C3=C(SCC4=C2C=C(C=C4)Cl)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096247 (CAS 15053-16-4), with molecular formula C22H22ClNO4S2 and molecular weight 463.07 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methylpiperidine.
Chemical Property Profile of RefChem:1096247
Property Insights of RefChem:1096247
The XLogP value of 5.2465 indicates that RefChem:1096247 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096247. Following Lipinski's Rule of Five, RefChem:1096247 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096247?
The CAS number of RefChem:1096247 is 15053-16-4.
What is the molecular formula of RefChem:1096247?
The molecular formula of RefChem:1096247 is C22H22ClNO4S2.
What is the molecular weight of RefChem:1096247?
The molecular weight of RefChem:1096247 is 463.07 g/mol.
Where can I buy RefChem:1096247?
You can request a quote for RefChem:1096247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096247?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.