N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine
TL;DR: N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine (CAS 354154-25-9) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)acetic acid
Also Known As: N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine, 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)acetic acid, 2-((1,1-dioxidobenzo[d]isothiazol-3-yl)(phenyl)amino)acetic acid, [(1,1-DIOXO-1??,2-BENZOTHIAZOL-3-YL)(PHENYL)AMINO]ACETIC ACID, 2-[(7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraen-9-yl)-phenyl-amino]acetic Acid
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 354154-25-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CC(=O)O)C2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | NQOWSDODTLXFGE-UHFFFAOYSA-N |
Product Overview
N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine (CAS 354154-25-9), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)acetic acid.
Chemical Property Profile of N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine
Property Insights of N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine. Following Lipinski's Rule of Five, N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine has 1 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 N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine?
The CAS number of N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine is 354154-25-9.
What is the molecular formula of N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine?
The molecular formula of N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine is C15H12N2O4S.
What is the molecular weight of N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine?
The molecular weight of N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine is 316.05 g/mol.
Where can I buy N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine?
You can request a quote for N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N-phenylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.