RefChem:1096245
TL;DR: RefChem:1096245 (CAS 83986-16-7) is a chemical compound with molecular formula C24H27NO6S and molecular weight 457.16 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-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl)-1-methylpiperidine
Also Known As: Piperidine, 4-(2-methoxy-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-1-methyl-, (Z)-2-butenedioate (1:1), 8-Methoxy-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen maleate, (E)-but-2-enedioic acid; 4-(8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl)-1-methylpiperidine, RefChem:1096245
| Molecular Formula | C24H27NO6S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.3335 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.1559 |
| Heavy Atoms | 32 |
| Complexity | 968.2048 |
Chemical Identifiers
| CAS Number | 83986-16-7 |
|---|---|
| SMILES | CN1CCC(CC1)C2C3=C(C=CC(=C3)OC)SC4=CC=CC=C4O2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096245 (CAS 83986-16-7), with molecular formula C24H27NO6S and molecular weight 457.16 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl)-1-methylpiperidine.
Chemical Property Profile of RefChem:1096245
Property Insights of RefChem:1096245
The XLogP value of 4.3335 indicates that RefChem:1096245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096245. Following Lipinski's Rule of Five, RefChem:1096245 has 2 hydrogen bond donor(s) and 6 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:1096245?
The CAS number of RefChem:1096245 is 83986-16-7.
What is the molecular formula of RefChem:1096245?
The molecular formula of RefChem:1096245 is C24H27NO6S.
What is the molecular weight of RefChem:1096245?
The molecular weight of RefChem:1096245 is 457.16 g/mol.
Where can I buy RefChem:1096245?
You can request a quote for RefChem:1096245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096245?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.