AB01289386-01
TL;DR: AB01289386-01 (CAS 866245-94-5) is a chemical compound with molecular formula C22H22ClN3O5 and molecular weight 443.12 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)-4-(4-hydroxy-3-methoxyphenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: AB01289386-01, 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-hydroxy-3-methoxyphenyl)-5-(2-methoxyethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-hydroxy-3-methoxyphenyl)-5-(2-methoxyethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(2-metho xyethyl)-3-pyrrolino[3,4-d]pyrazol-6-one
| Molecular Formula | C22H22ClN3O5 |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 3.64992 |
| Topological Polar Surface Area | 107.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1248 |
| Heavy Atoms | 31 |
| Complexity | 1160.2885 |
Chemical Identifiers
| CAS Number | 866245-94-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C2=NNC3=C2C(N(C3=O)CCOC)C4=CC(=C(C=C4)O)OC)O |
Product Overview
AB01289386-01 (CAS 866245-94-5), with molecular formula C22H22ClN3O5 and molecular weight 443.12 g/mol. IUPAC: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of AB01289386-01
Property Insights of AB01289386-01
The XLogP value of 3.64992 indicates that AB01289386-01 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 AB01289386-01. Following Lipinski's Rule of Five, AB01289386-01 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 AB01289386-01?
The CAS number of AB01289386-01 is 866245-94-5.
What is the molecular formula of AB01289386-01?
The molecular formula of AB01289386-01 is C22H22ClN3O5.
What is the molecular weight of AB01289386-01?
The molecular weight of AB01289386-01 is 443.12 g/mol.
Where can I buy AB01289386-01?
You can request a quote for AB01289386-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289386-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289386-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.