AB00678808-01
TL;DR: AB00678808-01 (CAS 891113-35-2) is a chemical compound with molecular formula C19H12ClF3N4O and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: AB00678808-01, F2514-0240, 1-(3-chlorophenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 1-(3-chlorophenyl)-5-(4-(trifluoromethyl)benzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 1-(3-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C19H12ClF3N4O |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 4.3027 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0652 |
| Heavy Atoms | 28 |
| Complexity | 1212.5515 |
Chemical Identifiers
| CAS Number | 891113-35-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(F)(F)F |
Product Overview
AB00678808-01 (CAS 891113-35-2), with molecular formula C19H12ClF3N4O and molecular weight 404.07 g/mol. IUPAC: 1-(3-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of AB00678808-01
Property Insights of AB00678808-01
The XLogP value of 4.3027 indicates that AB00678808-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, AB00678808-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00678808-01 has 0 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 AB00678808-01?
The CAS number of AB00678808-01 is 891113-35-2.
What is the molecular formula of AB00678808-01?
The molecular formula of AB00678808-01 is C19H12ClF3N4O.
What is the molecular weight of AB00678808-01?
The molecular weight of AB00678808-01 is 404.07 g/mol.
Where can I buy AB00678808-01?
You can request a quote for AB00678808-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678808-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678808-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.