AB01312179-01
TL;DR: AB01312179-01 (CAS 438218-70-3) is a chemical compound with molecular formula C18H23F3N2O5 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-triethoxyphenyl)methanone
Also Known As: AB01312179-01, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-triethoxyphenyl)methanone, 3-methyl-1-(3,4,5-triethoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 5-hydroxy-3-methyl-5-(trifluoromethyl)(2-pyrazolinyl) 3,4,5-triethoxyphenyl ke tone, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3,4,5-triethoxyphenyl)methanone
| Molecular Formula | C18H23F3N2O5 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 3.3554 |
| Topological Polar Surface Area | 80.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.1559 |
| Heavy Atoms | 28 |
| Complexity | 739.07336 |
Chemical Identifiers
| CAS Number | 438218-70-3 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(CC(=N2)C)(C(F)(F)F)O |
Product Overview
AB01312179-01 (CAS 438218-70-3), with molecular formula C18H23F3N2O5 and molecular weight 404.16 g/mol. IUPAC: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-triethoxyphenyl)methanone.
Chemical Property Profile of AB01312179-01
Property Insights of AB01312179-01
The XLogP value of 3.3554 indicates that AB01312179-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312179-01. Following Lipinski's Rule of Five, AB01312179-01 has 1 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 AB01312179-01?
The CAS number of AB01312179-01 is 438218-70-3.
What is the molecular formula of AB01312179-01?
The molecular formula of AB01312179-01 is C18H23F3N2O5.
What is the molecular weight of AB01312179-01?
The molecular weight of AB01312179-01 is 404.16 g/mol.
Where can I buy AB01312179-01?
You can request a quote for AB01312179-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312179-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312179-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.