![3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one structure](/static/products/333/333773-18-5.png)
3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one
TL;DR: 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one (CAS 333773-18-5) is a chemical compound with molecular formula C17H11N3O2S and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-anilino-1,3,4-thiadiazol-2-yl)chromen-2-one
Also Known As: AB01305219-01, 3-(5-anilino-1,3,4-thiadiazol-2-yl)chromen-2-one, 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one, 3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
| Molecular Formula | C17H11N3O2S |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0572 |
| Heavy Atoms | 23 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 333773-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=CC=CC=C4OC3=O |
| InChIKey | IHAYMHWGAWTJAC-UHFFFAOYSA-N |
Product Overview
3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one (CAS 333773-18-5), with molecular formula C17H11N3O2S and molecular weight 321.06 g/mol. IUPAC: 3-(5-anilino-1,3,4-thiadiazol-2-yl)chromen-2-one.
Chemical Property Profile of 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one
Property Insights of 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one
The XLogP value of 3.9 indicates that 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one has 1 hydrogen bond donor(s) and 6 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 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one?
The CAS number of 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one is 333773-18-5.
What is the molecular formula of 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one?
The molecular formula of 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one is C17H11N3O2S.
What is the molecular weight of 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one?
The molecular weight of 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one is 321.06 g/mol.
Where can I buy 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one?
You can request a quote for 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.