2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)
TL;DR: 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) (CAS 83523-65-3) is a chemical compound with molecular formula C20H21NO4S and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-ethyl-2-phenyl-2,3-dihydro-1,4-benzothiazine
Also Known As: 3,4-Dihydro-4-ethyl-2-phenyl-2H-1,4-benzothiazine hydroxybutanedioate (1:1), 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1), (E)-but-2-enedioic acid; 4-ethyl-2-phenyl-2,3-dihydro-1,4-benzothiazine, RefChem:1065091
| Molecular Formula | C20H21NO4S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 4.0717 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.11914 |
| Heavy Atoms | 26 |
| Complexity | 760.39044 |
Chemical Identifiers
| CAS Number | 83523-65-3 |
|---|---|
| SMILES | CCN1CC(SC2=CC=CC=C21)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) (CAS 83523-65-3), with molecular formula C20H21NO4S and molecular weight 371.12 g/mol. IUPAC: (E)-but-2-enedioic acid;4-ethyl-2-phenyl-2,3-dihydro-1,4-benzothiazine.
Chemical Property Profile of 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)
Property Insights of 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)
The XLogP value of 4.0717 indicates that 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1). Following Lipinski's Rule of Five, 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) has 2 hydrogen bond donor(s) and 4 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 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)?
The CAS number of 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) is 83523-65-3.
What is the molecular formula of 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)?
The molecular formula of 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) is C20H21NO4S.
What is the molecular weight of 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)?
The molecular weight of 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) is 371.12 g/mol.
Where can I buy 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)?
You can request a quote for 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzothiazine, 3,4-dihydro-4-ethyl-2-phenyl-, hydroxybutanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.