1E-076
TL;DR: 1E-076 (CAS 321522-23-0) is a chemical compound with molecular formula C19H10F7N5 and molecular weight 441.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-fluorophenyl)pyrazol-5-amine
Also Known As: 1E-076, 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-fluorophenyl)pyrazol-3-amine, 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-fluorophenyl)-1H-pyrazol-5-amine, 1-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-4-(4-fluorophenyl)-1H-pyrazol-5-ylamine, 1H-Pyrazol-5-amine,1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-fluorophenyl)-(9CI)
| Molecular Formula | C19H10F7N5 |
|---|---|
| Molecular Weight | 441.08 g/mol |
| LogP | 5.2414 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 441.08243 |
| Heavy Atoms | 31 |
| Complexity | 1274.0269 |
Chemical Identifiers
| CAS Number | 321522-23-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(N(N=C2)C3=NC4=C(C=C3)C(=CC(=N4)C(F)(F)F)C(F)(F)F)N)F |
Product Overview
1E-076 (CAS 321522-23-0), with molecular formula C19H10F7N5 and molecular weight 441.08 g/mol. IUPAC: 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-fluorophenyl)pyrazol-5-amine.
Chemical Property Profile of 1E-076
Property Insights of 1E-076
The XLogP value of 5.2414 indicates that 1E-076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1E-076. Following Lipinski's Rule of Five, 1E-076 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1E-076?
The CAS number of 1E-076 is 321522-23-0.
What is the molecular formula of 1E-076?
The molecular formula of 1E-076 is C19H10F7N5.
What is the molecular weight of 1E-076?
The molecular weight of 1E-076 is 441.08 g/mol.
Where can I buy 1E-076?
You can request a quote for 1E-076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1E-076?
Yes, KEHONG BIO provides custom synthesis services for 1E-076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.