N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate
TL;DR: N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate (CAS 82387-03-9) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate, 11-(2-Dimethylaminoethyl)-11H-dibenzo(b,f)-1,4-oxathiepin hydrogen oxalate, 11H-DIBENZ(b,f)-1,4-OXATHIEPIN-11-ETHANAMINE, N,N-DIMETHYL-, ETHANEDIOATE, 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 0.98 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 82387-03-9 |
|---|---|
| SMILES | C[NH+](C)CCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O |
| InChIKey | VUWMOHMAZSLLTJ-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate (CAS 82387-03-9), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate
Property Insights of N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate
The XLogP value of 0.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate. Following Lipinski's Rule of Five, N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate 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 N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate?
The CAS number of N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate is 82387-03-9.
What is the molecular formula of N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate?
The molecular formula of N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate is C19H21NO5S.
What is the molecular weight of N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate?
The molecular weight of N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate is 375.11 g/mol.
Where can I buy N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate?
You can request a quote for N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.