Beserol
TL;DR: Beserol (CAS 76847-46-6) is a chemical compound with molecular formula C19H21ClN2O5S and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one;N-(4-hydroxyphenyl)acetamide
Also Known As: Beserol, Lobak, Acetaminophen mixture with chlormezanone, 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one; N-(4-hydroxyphenyl)acetamide, n-(4-hydroxyphenyl)acetamide- 2-(4-chlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide(1:1)
| Molecular Formula | C19H21ClN2O5S |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 2.9661 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.08597 |
| Heavy Atoms | 28 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 76847-46-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)O.CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl |
| InChIKey | LDHSPVPCYBWWLX-UHFFFAOYSA-N |
Product Overview
Beserol (CAS 76847-46-6), with molecular formula C19H21ClN2O5S and molecular weight 424.09 g/mol. IUPAC: 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one;N-(4-hydroxyphenyl)acetamide.
Chemical Property Profile of Beserol
Property Insights of Beserol
The XLogP value of 2.9661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Beserol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Beserol. Following Lipinski's Rule of Five, Beserol 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 Beserol?
The CAS number of Beserol is 76847-46-6.
What is the molecular formula of Beserol?
The molecular formula of Beserol is C19H21ClN2O5S.
What is the molecular weight of Beserol?
The molecular weight of Beserol is 424.09 g/mol.
Where can I buy Beserol?
You can request a quote for Beserol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beserol?
Yes, KEHONG BIO provides custom synthesis services for Beserol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.