C28H26ClN3O4
TL;DR: C28H26ClN3O4 (CAS 880403-70-3) is a chemical compound with molecular formula C28H26ClN3O4 and molecular weight 503.16 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-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-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-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-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-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(4-methoxyphenethyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
| Molecular Formula | C28H26ClN3O4 |
|---|---|
| Molecular Weight | 503.16 g/mol |
| LogP | 5.54922 |
| Topological Polar Surface Area | 87.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1612 |
| Heavy Atoms | 36 |
| Complexity | 1414.238 |
Chemical Identifiers
| CAS Number | 880403-70-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C2=NNC3=C2C(N(C3=O)CCC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O |
Product Overview
C28H26ClN3O4 (CAS 880403-70-3), with molecular formula C28H26ClN3O4 and molecular weight 503.16 g/mol. IUPAC: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of C28H26ClN3O4
Property Insights of C28H26ClN3O4
The XLogP value of 5.54922 indicates that C28H26ClN3O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.68 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H26ClN3O4. Following Lipinski's Rule of Five, C28H26ClN3O4 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H26ClN3O4?
The CAS number of C28H26ClN3O4 is 880403-70-3.
What is the molecular formula of C28H26ClN3O4?
The molecular formula of C28H26ClN3O4 is C28H26ClN3O4.
What is the molecular weight of C28H26ClN3O4?
The molecular weight of C28H26ClN3O4 is 503.16 g/mol.
Where can I buy C28H26ClN3O4?
You can request a quote for C28H26ClN3O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H26ClN3O4?
Yes, KEHONG BIO provides custom synthesis services for C28H26ClN3O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.