A3782/0160521
TL;DR: A3782/0160521 (CAS 727680-35-5) is a chemical compound with molecular formula C10H7F3N4OS and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-oxo-4-(1,3-thiazol-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Also Known As: A3782/0160521, 2-methyl-5-oxo-4-(1,3-thiazol-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, 1H-Pyrrole-3-carbonitrile, 2-methyl-5-oxo-4-(thiazol-2-ylamino)-4-trifluoromethyl-4,5-dihydro-, 2-METHYL-5-OXO-4-(1,3-THIAZOL-2-YLAMINO)-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROL-3-YL CYANIDE, 2-methyl-5-oxo-4-(1,3-thiazol-2-ylamino)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
| Molecular Formula | C10H7F3N4OS |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 1.78348 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.02927 |
| Heavy Atoms | 19 |
| Complexity | 586.9062 |
Chemical Identifiers
| CAS Number | 727680-35-5 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=NC=CS2)C#N |
Product Overview
A3782/0160521 (CAS 727680-35-5), with molecular formula C10H7F3N4OS and molecular weight 288.03 g/mol. IUPAC: 2-methyl-5-oxo-4-(1,3-thiazol-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of A3782/0160521
Property Insights of A3782/0160521
The XLogP value of 1.78348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3782/0160521. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A3782/0160521. Following Lipinski's Rule of Five, A3782/0160521 has 2 hydrogen bond donor(s) and 5 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 A3782/0160521?
The CAS number of A3782/0160521 is 727680-35-5.
What is the molecular formula of A3782/0160521?
The molecular formula of A3782/0160521 is C10H7F3N4OS.
What is the molecular weight of A3782/0160521?
The molecular weight of A3782/0160521 is 288.03 g/mol.
Where can I buy A3782/0160521?
You can request a quote for A3782/0160521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3782/0160521?
Yes, KEHONG BIO provides custom synthesis services for A3782/0160521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.