RefChem:1096242
TL;DR: RefChem:1096242 (CAS 82387-18-6) is a chemical compound with molecular formula C23H24ClNO5S and molecular weight 461.11 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-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine
Also Known As: 2-Chloro-11-(1-methyl-4-piperidyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen maleate, Piperidine, 4-(2-chloro-11H-dibenz(b,f)(1,4)oxathiepin-11-yl)-1-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine, RefChem:1096242
| Molecular Formula | C23H24ClNO5S |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 5.3327 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.10638 |
| Heavy Atoms | 31 |
| Complexity | 956.1892 |
Chemical Identifiers
| CAS Number | 82387-18-6 |
|---|---|
| SMILES | CN1CCC(CC1)C2C3=C(C=CC(=C3)Cl)OC4=CC=CC=C4S2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096242 (CAS 82387-18-6), with molecular formula C23H24ClNO5S and molecular weight 461.11 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine.
Chemical Property Profile of RefChem:1096242
Property Insights of RefChem:1096242
The XLogP value of 5.3327 indicates that RefChem:1096242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096242. Following Lipinski's Rule of Five, RefChem:1096242 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:1096242?
The CAS number of RefChem:1096242 is 82387-18-6.
What is the molecular formula of RefChem:1096242?
The molecular formula of RefChem:1096242 is C23H24ClNO5S.
What is the molecular weight of RefChem:1096242?
The molecular weight of RefChem:1096242 is 461.11 g/mol.
Where can I buy RefChem:1096242?
You can request a quote for RefChem:1096242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096242?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.