![3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one structure](/static/products/3296/329690-27-9.webp)
3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one
TL;DR: 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one (CAS 329690-27-9) is a chemical compound with molecular formula C18H12BrN3O3S and molecular weight 428.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-8-methoxychromen-2-one
Also Known As: BAS 01289972, 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one, F0803-0429, 3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-2H-chromen-2-one, 3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-8-methoxychromen-2-one
| Molecular Formula | C18H12BrN3O3S |
|---|---|
| Molecular Weight | 428.98 g/mol |
| LogP | 4.8262 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.97827 |
| Heavy Atoms | 26 |
| Complexity | 1138.5928 |
Chemical Identifiers
| CAS Number | 329690-27-9 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NC4=CC=C(C=C4)Br |
Product Overview
3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one (CAS 329690-27-9), with molecular formula C18H12BrN3O3S and molecular weight 428.98 g/mol. IUPAC: 3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-8-methoxychromen-2-one.
Chemical Property Profile of 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one
Property Insights of 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one
The XLogP value of 4.8262 indicates that 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one has 1 hydrogen bond donor(s) and 7 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-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one?
The CAS number of 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one is 329690-27-9.
What is the molecular formula of 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one?
The molecular formula of 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one is C18H12BrN3O3S.
What is the molecular weight of 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one?
The molecular weight of 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one is 428.98 g/mol.
Where can I buy 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one?
You can request a quote for 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-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-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.