AB01312650-01
TL;DR: AB01312650-01 (CAS 900099-66-3) is a chemical compound with molecular formula C24H25FN4O4 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
Also Known As: AB01312650-01, 4,4'-({3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methanediyl)bis(3-methyl-1H-pyrazol-5-ol), 4,4'-((3-ethoxy-4-((4-fluorobenzyl)oxy)phenyl)methylene)bis(3-methyl-1H-pyrazol-5-ol), 4-({3-ETHOXY-4-[(4-FLUOROPHENYL)METHOXY]PHENYL}(5-HYDROXY-3-METHYL-1H-PYRAZOL-4-YL)METHYL)-3-METHYL-1H-PYRAZOL-5-OL, 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
| Molecular Formula | C24H25FN4O4 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.63324 |
| Topological Polar Surface Area | 115.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.18597 |
| Heavy Atoms | 33 |
| Complexity | 1310.1099 |
Chemical Identifiers
| CAS Number | 900099-66-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OCC4=CC=C(C=C4)F |
Product Overview
AB01312650-01 (CAS 900099-66-3), with molecular formula C24H25FN4O4 and molecular weight 452.19 g/mol. IUPAC: 4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of AB01312650-01
Property Insights of AB01312650-01
The XLogP value of 3.63324 indicates that AB01312650-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312650-01. Following Lipinski's Rule of Five, AB01312650-01 has 4 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 AB01312650-01?
The CAS number of AB01312650-01 is 900099-66-3.
What is the molecular formula of AB01312650-01?
The molecular formula of AB01312650-01 is C24H25FN4O4.
What is the molecular weight of AB01312650-01?
The molecular weight of AB01312650-01 is 452.19 g/mol.
Where can I buy AB01312650-01?
You can request a quote for AB01312650-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312650-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312650-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.