AN-989/41070995
TL;DR: AN-989/41070995 (CAS 433706-45-7) is a chemical compound with molecular formula C25H21F3N2O5 and molecular weight 486.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate
Also Known As: AN-989/41070995, ethyl 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate, ethyl 4-[4-[3-ethoxy-4-(2-propynyloxy)benzylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate, (Z)-ethyl 4-(4-(3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoate, ethyl 4-[(4Z)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
| Molecular Formula | C25H21F3N2O5 |
|---|---|
| Molecular Weight | 486.14 g/mol |
| LogP | 4.6225 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.14026 |
| Heavy Atoms | 35 |
| Complexity | 1211.0886 |
Chemical Identifiers
| CAS Number | 433706-45-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C(F)(F)F)OCC#C |
Product Overview
AN-989/41070995 (CAS 433706-45-7), with molecular formula C25H21F3N2O5 and molecular weight 486.14 g/mol. IUPAC: ethyl 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate.
Chemical Property Profile of AN-989/41070995
Property Insights of AN-989/41070995
The XLogP value of 4.6225 indicates that AN-989/41070995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/41070995. Following Lipinski's Rule of Five, AN-989/41070995 has 0 hydrogen bond donor(s) and 6 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 AN-989/41070995?
The CAS number of AN-989/41070995 is 433706-45-7.
What is the molecular formula of AN-989/41070995?
The molecular formula of AN-989/41070995 is C25H21F3N2O5.
What is the molecular weight of AN-989/41070995?
The molecular weight of AN-989/41070995 is 486.14 g/mol.
Where can I buy AN-989/41070995?
You can request a quote for AN-989/41070995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/41070995?
Yes, KEHONG BIO provides custom synthesis services for AN-989/41070995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.