6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
TL;DR: 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one (CAS 314048-26-5) is a chemical compound with molecular formula C17H10ClN3O2S and molecular weight 355.02 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)-6-chlorochromen-2-one
Also Known As: BAS 01020073, 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one, 6-chloro-3-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one, 3-(5-anilino-1,3,4-thiadiazol-2-yl)-6-chlorochromen-2-one, F0368-0291
| Molecular Formula | C17H10ClN3O2S |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 4.7085 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.01822 |
| Heavy Atoms | 24 |
| Complexity | 1076.0908 |
Chemical Identifiers
| CAS Number | 314048-26-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O |
Product Overview
6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one (CAS 314048-26-5), with molecular formula C17H10ClN3O2S and molecular weight 355.02 g/mol. IUPAC: 3-(5-anilino-1,3,4-thiadiazol-2-yl)-6-chlorochromen-2-one.
Chemical Property Profile of 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
Property Insights of 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
The XLogP value of 4.7085 indicates that 6-chloro-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 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-chloro-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 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The CAS number of 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is 314048-26-5.
What is the molecular formula of 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The molecular formula of 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is C17H10ClN3O2S.
What is the molecular weight of 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The molecular weight of 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is 355.02 g/mol.
Where can I buy 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
You can request a quote for 6-chloro-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 6-chloro-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-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.