AO-022/43270051
TL;DR: AO-022/43270051 (CAS 880403-95-2) is a chemical compound with molecular formula C26H30ClN3O5 and molecular weight 499.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: AO-022/43270051, 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, (3Z)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C26H30ClN3O5 |
|---|---|
| Molecular Weight | 499.19 g/mol |
| LogP | 4.71512 |
| Topological Polar Surface Area | 107.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.1874 |
| Heavy Atoms | 35 |
| Complexity | 1239.9655 |
Chemical Identifiers
| CAS Number | 880403-95-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C2=NNC3=C2C(N(C3=O)CCO)C4=CC(=C(C=C4)OCCC(C)C)OC)O |
Product Overview
AO-022/43270051 (CAS 880403-95-2), with molecular formula C26H30ClN3O5 and molecular weight 499.19 g/mol. IUPAC: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of AO-022/43270051
Property Insights of AO-022/43270051
The XLogP value of 4.71512 indicates that AO-022/43270051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43270051. Following Lipinski's Rule of Five, AO-022/43270051 has 3 hydrogen bond donor(s) and 6 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 AO-022/43270051?
The CAS number of AO-022/43270051 is 880403-95-2.
What is the molecular formula of AO-022/43270051?
The molecular formula of AO-022/43270051 is C26H30ClN3O5.
What is the molecular weight of AO-022/43270051?
The molecular weight of AO-022/43270051 is 499.19 g/mol.
Where can I buy AO-022/43270051?
You can request a quote for AO-022/43270051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43270051?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43270051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.