6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid
TL;DR: 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid (CAS 91167-74-7) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-6-phenyl-4,6-dihydro-3H-5,1-benzothiazocine-1-carboxylic acid
Also Known As: 6-Ptboc, 2H-5,1-Benzothiazocine-1(6H)-carboxylic acid, 3,4-dihydro-2-oxo-6-phenyl-, 6-Phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid, 2-oxo-6-phenyl-4,6-dihydro-3H-5,1-benzothiazocine-1-carboxylic acid, 2-oxo-6-phenyl-3,4-dihydro-2H-5,1-benzothiazocine-1(6H)-carboxylic acid
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 91167-74-7 |
|---|---|
| SMILES | C1CSC(C2=CC=CC=C2N(C1=O)C(=O)O)C3=CC=CC=C3 |
| InChIKey | ATWDUDUJCAOQAR-UHFFFAOYSA-N |
Product Overview
6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid (CAS 91167-74-7), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: 2-oxo-6-phenyl-4,6-dihydro-3H-5,1-benzothiazocine-1-carboxylic acid.
Chemical Property Profile of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid
Property Insights of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid
The XLogP value of 3.5 indicates that 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid. Following Lipinski's Rule of Five, 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid has 1 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 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid?
The CAS number of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid is 91167-74-7.
What is the molecular formula of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid?
The molecular formula of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid is C17H15NO3S.
What is the molecular weight of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid?
The molecular weight of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid is 313.08 g/mol.
Where can I buy 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid?
You can request a quote for 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.