AB01289443-01
TL;DR: AB01289443-01 (CAS 879963-69-6) is a chemical compound with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: AB01289443-01, 3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C25H22N4O3 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.24514 |
| Topological Polar Surface Area | 102.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.1692 |
| Heavy Atoms | 32 |
| Complexity | 1330.5289 |
Chemical Identifiers
| CAS Number | 879963-69-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C2=NNC3=C2C(N(C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)O)O)C |
Product Overview
AB01289443-01 (CAS 879963-69-6), with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol. IUPAC: 3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of AB01289443-01
Property Insights of AB01289443-01
The XLogP value of 4.24514 indicates that AB01289443-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01289443-01. Following Lipinski's Rule of Five, AB01289443-01 has 3 hydrogen bond donor(s) and 5 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 AB01289443-01?
The CAS number of AB01289443-01 is 879963-69-6.
What is the molecular formula of AB01289443-01?
The molecular formula of AB01289443-01 is C25H22N4O3.
What is the molecular weight of AB01289443-01?
The molecular weight of AB01289443-01 is 426.17 g/mol.
Where can I buy AB01289443-01?
You can request a quote for AB01289443-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289443-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289443-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.