4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
TL;DR: 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid (CAS 688760-44-3) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-oxo-1,4-benzothiazine-6-carboxylic acid
Also Known As: 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid, 4-benzyl-3-oxo-1,4-benzothiazine-6-carboxylic acid, 10-benzyl-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxylic Acid
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.0237 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 699.9232 |
Chemical Identifiers
| CAS Number | 688760-44-3 |
|---|---|
| SMILES | C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)O)CC3=CC=CC=C3 |
Product Overview
4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid (CAS 688760-44-3), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 4-benzyl-3-oxo-1,4-benzothiazine-6-carboxylic acid.
Chemical Property Profile of 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
Property Insights of 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
The XLogP value of 3.0237 indicates that 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid?
The CAS number of 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid is 688760-44-3.
What is the molecular formula of 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid?
The molecular formula of 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid is C16H13NO3S.
What is the molecular weight of 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid?
The molecular weight of 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid is 299.06 g/mol.
Where can I buy 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid?
You can request a quote for 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.