AB00084242-01
TL;DR: AB00084242-01 (CAS 331238-86-9) is a chemical compound with molecular formula C15H13F7N2O2 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-phenylethanone
Also Known As: AB00084242-01, 1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-phenylethanone, 1-[5-(heptafluoropropyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-phenylethanone, 1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-3-methyl(2-pyrazolinyl)]-2-ph enylethan-1-one, 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-1-(phenylacetyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C15H13F7N2O2 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 3.3588 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.08652 |
| Heavy Atoms | 26 |
| Complexity | 718.45514 |
Chemical Identifiers
| CAS Number | 331238-86-9 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(C(C(F)(F)F)(F)F)(F)F)O)C(=O)CC2=CC=CC=C2 |
Product Overview
AB00084242-01 (CAS 331238-86-9), with molecular formula C15H13F7N2O2 and molecular weight 386.09 g/mol. IUPAC: 1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-phenylethanone.
Chemical Property Profile of AB00084242-01
Property Insights of AB00084242-01
The XLogP value of 3.3588 indicates that AB00084242-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, AB00084242-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00084242-01 has 1 hydrogen bond donor(s) and 3 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 AB00084242-01?
The CAS number of AB00084242-01 is 331238-86-9.
What is the molecular formula of AB00084242-01?
The molecular formula of AB00084242-01 is C15H13F7N2O2.
What is the molecular weight of AB00084242-01?
The molecular weight of AB00084242-01 is 386.09 g/mol.
Where can I buy AB00084242-01?
You can request a quote for AB00084242-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00084242-01?
Yes, KEHONG BIO provides custom synthesis services for AB00084242-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.