ChemDiv3_014616
TL;DR: ChemDiv3_014616 (CAS 880393-75-9) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: ChemDiv3_014616, IDI1_030414, 5-butyl-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 5-butyl-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one, (3Z)-5-butyl-4-(3-hydroxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 3.8332 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 995.84186 |
Chemical Identifiers
| CAS Number | 880393-75-9 |
|---|---|
| SMILES | CCCCN1C(C2=C(C1=O)NN=C2C3=CC=CC=C3O)C4=CC(=CC=C4)O |
Product Overview
ChemDiv3_014616 (CAS 880393-75-9), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: 5-butyl-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of ChemDiv3_014616
Property Insights of ChemDiv3_014616
The XLogP value of 3.8332 indicates that ChemDiv3_014616 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 ChemDiv3_014616. Following Lipinski's Rule of Five, ChemDiv3_014616 has 3 hydrogen bond donor(s) and 4 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 ChemDiv3_014616?
The CAS number of ChemDiv3_014616 is 880393-75-9.
What is the molecular formula of ChemDiv3_014616?
The molecular formula of ChemDiv3_014616 is C21H21N3O3.
What is the molecular weight of ChemDiv3_014616?
The molecular weight of ChemDiv3_014616 is 363.16 g/mol.
Where can I buy ChemDiv3_014616?
You can request a quote for ChemDiv3_014616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014616?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.