AB01312181-01
TL;DR: AB01312181-01 (CAS 438225-92-4) is a chemical compound with molecular formula C14H15F3N2O3 and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxyphenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: AB01312181-01, (4-ethoxyphenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, (4-ethoxyphenyl)[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone, 4-ethoxyphenyl 5-hydroxy-3-methyl-5-(trifluoromethyl)(2-pyrazolinyl) ketone, 1-(4-ethoxybenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C14H15F3N2O3 |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.558 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.1035 |
| Heavy Atoms | 22 |
| Complexity | 598.34576 |
Chemical Identifiers
| CAS Number | 438225-92-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C)(C(F)(F)F)O |
Product Overview
AB01312181-01 (CAS 438225-92-4), with molecular formula C14H15F3N2O3 and molecular weight 316.10 g/mol. IUPAC: (4-ethoxyphenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of AB01312181-01
Property Insights of AB01312181-01
The XLogP value of 2.558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01312181-01. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312181-01. Following Lipinski's Rule of Five, AB01312181-01 has 1 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 AB01312181-01?
The CAS number of AB01312181-01 is 438225-92-4.
What is the molecular formula of AB01312181-01?
The molecular formula of AB01312181-01 is C14H15F3N2O3.
What is the molecular weight of AB01312181-01?
The molecular weight of AB01312181-01 is 316.10 g/mol.
Where can I buy AB01312181-01?
You can request a quote for AB01312181-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312181-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312181-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.