2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
TL;DR: 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one (CAS 334506-28-4) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
Also Known As: 2-AMINO-5-PHENYL-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE, 3-Chlor-propionsaeure-o-phenetidid, 2-amino-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one, 2-Amino-5-phenyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one, BAS 01076646
| Molecular Formula | C13H12N2OS |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.638 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.06703 |
| Heavy Atoms | 17 |
| Complexity | 562.05334 |
Chemical Identifiers
| CAS Number | 334506-28-4 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1N=C(S2)N)C3=CC=CC=C3 |
Product Overview
2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one (CAS 334506-28-4), with molecular formula C13H12N2OS and molecular weight 244.07 g/mol. IUPAC: 2-amino-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one.
Chemical Property Profile of 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
Property Insights of 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
The XLogP value of 2.638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one. With a topological polar surface area (TPSA) of 55.98 Ų, 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one 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 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
The CAS number of 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one is 334506-28-4.
What is the molecular formula of 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
The molecular formula of 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one is C13H12N2OS.
What is the molecular weight of 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
The molecular weight of 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one is 244.07 g/mol.
Where can I buy 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
You can request a quote for 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.