MixCom3_000027
TL;DR: MixCom3_000027 (CAS 692287-32-4) is a chemical compound with molecular formula C18H17F3N4O2 and molecular weight 378.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
Also Known As: MixCom3_000027, Bionet1_004885, 6T-0083, ethyl 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, ethyl 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
| Molecular Formula | C18H17F3N4O2 |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 3.7759 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.13037 |
| Heavy Atoms | 27 |
| Complexity | 982.38745 |
Chemical Identifiers
| CAS Number | 692287-32-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C(=C1NCC3=CC(=CC=C3)C(F)(F)F)C=NN2C |
Product Overview
MixCom3_000027 (CAS 692287-32-4), with molecular formula C18H17F3N4O2 and molecular weight 378.13 g/mol. IUPAC: ethyl 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate.
Chemical Property Profile of MixCom3_000027
Property Insights of MixCom3_000027
The XLogP value of 3.7759 indicates that MixCom3_000027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom3_000027. Following Lipinski's Rule of Five, MixCom3_000027 has 1 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 MixCom3_000027?
The CAS number of MixCom3_000027 is 692287-32-4.
What is the molecular formula of MixCom3_000027?
The molecular formula of MixCom3_000027 is C18H17F3N4O2.
What is the molecular weight of MixCom3_000027?
The molecular weight of MixCom3_000027 is 378.13 g/mol.
Where can I buy MixCom3_000027?
You can request a quote for MixCom3_000027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom3_000027?
Yes, KEHONG BIO provides custom synthesis services for MixCom3_000027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.