![3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one structure](/static/products/879/879965-80-7.png)
3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
TL;DR: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one (CAS 879965-80-7) is a chemical compound with molecular formula C22H22ClN3O3S and molecular weight 443.11 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-(3-hydroxypropyl)-4-(4-methylsulfanylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(3-hydroxypropyl)-4-(4-methylsulfanylphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(3-hydroxypropyl)-4-(4-methylsulfanylphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-(4-(methylthio)phenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
| Molecular Formula | C22H22ClN3O3S |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.39362 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.10703 |
| Heavy Atoms | 30 |
| Complexity | 1097.7523 |
Chemical Identifiers
| CAS Number | 879965-80-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C2=NNC3=C2C(N(C3=O)CCCO)C4=CC=C(C=C4)SC)O |
Product Overview
3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one (CAS 879965-80-7), with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol. IUPAC: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-(4-methylsulfanylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Property Insights of 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
The XLogP value of 4.39362 indicates that 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one 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 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one. Following Lipinski's Rule of Five, 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one 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 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
The CAS number of 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is 879965-80-7.
What is the molecular formula of 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
The molecular formula of 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is C22H22ClN3O3S.
What is the molecular weight of 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
The molecular weight of 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is 443.11 g/mol.
Where can I buy 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
You can request a quote for 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.