AB01289360-01
TL;DR: AB01289360-01 (CAS 880396-59-8) is a chemical compound with molecular formula C22H21Cl2N3O3 and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dichlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: AB01289360-01, 4-(3,4-dichlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-4-(3,4-dichlorophenyl)-3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(3-hydroxypropyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 4-(3,4-dichlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 4-(3,4-dichlorophenyl)-3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(3-hydroxypropyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C22H21Cl2N3O3 |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 4.63354 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.096 |
| Heavy Atoms | 30 |
| Complexity | 1142.8967 |
Chemical Identifiers
| CAS Number | 880396-59-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C2=NNC3=C2C(N(C3=O)CCCO)C4=CC(=C(C=C4)Cl)Cl)O)C |
Product Overview
AB01289360-01 (CAS 880396-59-8), with molecular formula C22H21Cl2N3O3 and molecular weight 445.10 g/mol. IUPAC: 4-(3,4-dichlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of AB01289360-01
Property Insights of AB01289360-01
The XLogP value of 4.63354 indicates that AB01289360-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01289360-01. Following Lipinski's Rule of Five, AB01289360-01 has 3 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 AB01289360-01?
The CAS number of AB01289360-01 is 880396-59-8.
What is the molecular formula of AB01289360-01?
The molecular formula of AB01289360-01 is C22H21Cl2N3O3.
What is the molecular weight of AB01289360-01?
The molecular weight of AB01289360-01 is 445.10 g/mol.
Where can I buy AB01289360-01?
You can request a quote for AB01289360-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289360-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289360-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.