RefChem:1098922
TL;DR: RefChem:1098922 (CAS 98796-35-1) is a chemical compound with molecular formula C22H23NO5S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine]
Also Known As: Spiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine), 1'-methyl-, (Z)-2-butenedioate (1:1), 1'-Methylspiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine)(Z)-2-butenedioate (1:1), 1-Methylspiro(piperidine-4,6'-dibenz(b,e)-1,4-oxathiepin) hydrogen maleate, (Z)-but-2-enedioic acid; 1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine], RefChem:1098922
| Molecular Formula | C22H23NO5S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 3.8629 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.1297 |
| Heavy Atoms | 29 |
| Complexity | 902.9236 |
Chemical Identifiers
| CAS Number | 98796-35-1 |
|---|---|
| SMILES | CN1CCC2(CC1)C3=CC=CC=C3SC4=CC=CC=C4O2.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098922 (CAS 98796-35-1), with molecular formula C22H23NO5S and molecular weight 413.13 g/mol. IUPAC: (Z)-but-2-enedioic acid;1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine].
Chemical Property Profile of RefChem:1098922
Property Insights of RefChem:1098922
The XLogP value of 3.8629 indicates that RefChem:1098922 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:1098922. Following Lipinski's Rule of Five, RefChem:1098922 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:1098922?
The CAS number of RefChem:1098922 is 98796-35-1.
What is the molecular formula of RefChem:1098922?
The molecular formula of RefChem:1098922 is C22H23NO5S.
What is the molecular weight of RefChem:1098922?
The molecular weight of RefChem:1098922 is 413.13 g/mol.
Where can I buy RefChem:1098922?
You can request a quote for RefChem:1098922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098922?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.