C22H21BrClN3O5
TL;DR: C22H21BrClN3O5 (CAS 879965-45-4) is a chemical compound with molecular formula C22H21BrClN3O5 and molecular weight 521.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(3-hydroxypropyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(3-hydroxypropyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
| Molecular Formula | C22H21BrClN3O5 |
|---|---|
| Molecular Weight | 521.04 g/mol |
| LogP | 4.14842 |
| Topological Polar Surface Area | 118.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.03534 |
| Heavy Atoms | 32 |
| Complexity | 1212.7623 |
Chemical Identifiers
| CAS Number | 879965-45-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C2=NNC3=C2C(N(C3=O)CCCO)C4=CC(=C(C(=C4)Br)O)OC)O |
Product Overview
C22H21BrClN3O5 (CAS 879965-45-4), with molecular formula C22H21BrClN3O5 and molecular weight 521.04 g/mol. IUPAC: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of C22H21BrClN3O5
Property Insights of C22H21BrClN3O5
The XLogP value of 4.14842 indicates that C22H21BrClN3O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.91 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H21BrClN3O5. Following Lipinski's Rule of Five, C22H21BrClN3O5 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H21BrClN3O5?
The CAS number of C22H21BrClN3O5 is 879965-45-4.
What is the molecular formula of C22H21BrClN3O5?
The molecular formula of C22H21BrClN3O5 is C22H21BrClN3O5.
What is the molecular weight of C22H21BrClN3O5?
The molecular weight of C22H21BrClN3O5 is 521.04 g/mol.
Where can I buy C22H21BrClN3O5?
You can request a quote for C22H21BrClN3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H21BrClN3O5?
Yes, KEHONG BIO provides custom synthesis services for C22H21BrClN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.