A3273/0139240
TL;DR: A3273/0139240 (CAS 606924-68-9) is a chemical compound with molecular formula C14H9F3N4OS and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Also Known As: A3273/0139240, 1H-Pyrrole-3-carbonitrile,4-(2-benzothiazolylamino)-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-(9CI), 4-(1,3-benzothiazol-2(3H)-ylideneamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile, 4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile, 1H-PYRROLE-3-CARBONITRILE, 4-(2-BENZOTHIAZOLYLAMINO)-4,5-DIHYDRO-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-
| Molecular Formula | C14H9F3N4OS |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 2.93668 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.04492 |
| Heavy Atoms | 23 |
| Complexity | 847.0101 |
Chemical Identifiers
| CAS Number | 606924-68-9 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=NC3=CC=CC=C3S2)C#N |
Product Overview
A3273/0139240 (CAS 606924-68-9), with molecular formula C14H9F3N4OS and molecular weight 338.04 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of A3273/0139240
Property Insights of A3273/0139240
The XLogP value of 2.93668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3273/0139240. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A3273/0139240. Following Lipinski's Rule of Five, A3273/0139240 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 A3273/0139240?
The CAS number of A3273/0139240 is 606924-68-9.
What is the molecular formula of A3273/0139240?
The molecular formula of A3273/0139240 is C14H9F3N4OS.
What is the molecular weight of A3273/0139240?
The molecular weight of A3273/0139240 is 338.04 g/mol.
Where can I buy A3273/0139240?
You can request a quote for A3273/0139240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3273/0139240?
Yes, KEHONG BIO provides custom synthesis services for A3273/0139240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.