6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
TL;DR: 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one (CAS 326913-63-7) is a chemical compound with molecular formula C18H12BrN3O2S and molecular weight 412.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
Also Known As: BAS 01289964, AB00672540-01, 6-bromo-3-{5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl}-2H-chromen-2-one, 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one, F0803-0104
| Molecular Formula | C18H12BrN3O2S |
|---|---|
| Molecular Weight | 412.98 g/mol |
| LogP | 5.12602 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.98337 |
| Heavy Atoms | 25 |
| Complexity | 1119.3317 |
Chemical Identifiers
| CAS Number | 326913-63-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one (CAS 326913-63-7), with molecular formula C18H12BrN3O2S and molecular weight 412.98 g/mol. IUPAC: 6-bromo-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one.
Chemical Property Profile of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
Property Insights of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
The XLogP value of 5.12602 indicates that 6-bromo-3-(5-(p-tolylamino)-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-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The CAS number of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is 326913-63-7.
What is the molecular formula of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The molecular formula of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is C18H12BrN3O2S.
What is the molecular weight of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The molecular weight of 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is 412.98 g/mol.
Where can I buy 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
You can request a quote for 6-bromo-3-(5-(p-tolylamino)-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-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-(5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.