12L-931
TL;DR: 12L-931 (CAS 321522-16-1) is a chemical compound with molecular formula C15H13ClF3N5O4 and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: 12L-931, ethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C15H13ClF3N5O4 |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 0.9809 |
| Topological Polar Surface Area | 104.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.06082 |
| Heavy Atoms | 28 |
| Complexity | 890.9176 |
Chemical Identifiers
| CAS Number | 321522-16-1 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
12L-931 (CAS 321522-16-1), with molecular formula C15H13ClF3N5O4 and molecular weight 419.06 g/mol. IUPAC: ethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of 12L-931
Property Insights of 12L-931
The XLogP value of 0.9809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12L-931. The TPSA of 104.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 12L-931. Following Lipinski's Rule of Five, 12L-931 has 1 hydrogen bond donor(s) and 8 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 12L-931?
The CAS number of 12L-931 is 321522-16-1.
What is the molecular formula of 12L-931?
The molecular formula of 12L-931 is C15H13ClF3N5O4.
What is the molecular weight of 12L-931?
The molecular weight of 12L-931 is 419.06 g/mol.
Where can I buy 12L-931?
You can request a quote for 12L-931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12L-931?
Yes, KEHONG BIO provides custom synthesis services for 12L-931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.