BAS 00758659
TL;DR: BAS 00758659 (CAS 311326-67-7) is a chemical compound with molecular formula C15H11F3N4O and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 00758659, J3.257.335E, 6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, A1285/0058622, 6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C15H11F3N4O |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 2.9551 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.0885 |
| Heavy Atoms | 23 |
| Complexity | 827.8874 |
Chemical Identifiers
| CAS Number | 311326-67-7 |
|---|---|
| SMILES | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
BAS 00758659 (CAS 311326-67-7), with molecular formula C15H11F3N4O and molecular weight 320.09 g/mol. IUPAC: 6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00758659
Property Insights of BAS 00758659
The XLogP value of 2.9551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00758659. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758659. Following Lipinski's Rule of Five, BAS 00758659 has 2 hydrogen bond donor(s) and 4 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 BAS 00758659?
The CAS number of BAS 00758659 is 311326-67-7.
What is the molecular formula of BAS 00758659?
The molecular formula of BAS 00758659 is C15H11F3N4O.
What is the molecular weight of BAS 00758659?
The molecular weight of BAS 00758659 is 320.09 g/mol.
Where can I buy BAS 00758659?
You can request a quote for BAS 00758659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758659?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.