2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one
TL;DR: 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one (CAS 119550-16-2) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-anilino-2-benzyl-1,2,4-thiadiazol-3-one
Also Known As: 5-anilino-2-benzyl-1,2,4-thiadiazol-3-one, 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one, 2-Benzyl-5-phenylamino-[1,2,4]thiadiazol-3-one, 2-BENZYL-5-(PHENYLAMINO)-1,2,4-THIADIAZOL-3-ONE, 5-Anilino-2-benzyl-3-oxo-
| Molecular Formula | C15H13N3OS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.0967 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.07794 |
| Heavy Atoms | 20 |
| Complexity | 734.57 |
Chemical Identifiers
| CAS Number | 119550-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)N=C(S2)NC3=CC=CC=C3 |
Product Overview
2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one (CAS 119550-16-2), with molecular formula C15H13N3OS and molecular weight 283.08 g/mol. IUPAC: 5-anilino-2-benzyl-1,2,4-thiadiazol-3-one.
Chemical Property Profile of 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one
Property Insights of 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one
The XLogP value of 3.0967 indicates that 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-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-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one?
The CAS number of 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one is 119550-16-2.
What is the molecular formula of 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one?
The molecular formula of 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one is C15H13N3OS.
What is the molecular weight of 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one?
The molecular weight of 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one is 283.08 g/mol.
Where can I buy 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one?
You can request a quote for 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-5-(phenylamino)-1,2,4-thiadiazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.