5N-012
TL;DR: 5N-012 (CAS 338962-92-8) is a chemical compound with molecular formula C19H19Cl2NO4S and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethyl] 3,4-dichlorobenzoate
Also Known As: 5N-012, 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-2-phenylethyl 3,4-dichlorobenzenecarboxylate, [2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethyl] 3,4-dichlorobenzoate, 2-(1,1-Dioxidothiomorpholino)-2-phenylethyl 3,4-dichlorobenzoate, [2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-ethyl] 3,4-dichlorobenzoate
| Molecular Formula | C19H19Cl2NO4S |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 3.6219 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0412 |
| Heavy Atoms | 27 |
| Complexity | 904.5618 |
Chemical Identifiers
| CAS Number | 338962-92-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1C(COC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3 |
Product Overview
5N-012 (CAS 338962-92-8), with molecular formula C19H19Cl2NO4S and molecular weight 427.04 g/mol. IUPAC: [2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethyl] 3,4-dichlorobenzoate.
Chemical Property Profile of 5N-012
Property Insights of 5N-012
The XLogP value of 3.6219 indicates that 5N-012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5N-012. Following Lipinski's Rule of Five, 5N-012 has 0 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 5N-012?
The CAS number of 5N-012 is 338962-92-8.
What is the molecular formula of 5N-012?
The molecular formula of 5N-012 is C19H19Cl2NO4S.
What is the molecular weight of 5N-012?
The molecular weight of 5N-012 is 427.04 g/mol.
Where can I buy 5N-012?
You can request a quote for 5N-012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-012?
Yes, KEHONG BIO provides custom synthesis services for 5N-012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.