ChemDiv3_011934
TL;DR: ChemDiv3_011934 (CAS 879925-88-9) is a chemical compound with molecular formula C22H17N3O3 and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: ChemDiv3_011934, IDI1_029492, 5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, BRD-A77135897-001-01-3, (3E)-5-(furan-2-ylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C22H17N3O3 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.12698 |
| Heavy Atoms | 28 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 879925-88-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C(=O)N2CC4=CC=CO4)NN=C3C5=CC=CC=C5O |
| InChIKey | NPCHUJMJLPDVOC-UHFFFAOYSA-N |
Product Overview
ChemDiv3_011934 (CAS 879925-88-9), with molecular formula C22H17N3O3 and molecular weight 371.13 g/mol. IUPAC: 5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of ChemDiv3_011934
Property Insights of ChemDiv3_011934
The XLogP value of 3.2 indicates that ChemDiv3_011934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011934. Following Lipinski's Rule of Five, ChemDiv3_011934 has 2 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_011934?
The CAS number of ChemDiv3_011934 is 879925-88-9.
What is the molecular formula of ChemDiv3_011934?
The molecular formula of ChemDiv3_011934 is C22H17N3O3.
What is the molecular weight of ChemDiv3_011934?
The molecular weight of ChemDiv3_011934 is 371.13 g/mol.
Where can I buy ChemDiv3_011934?
You can request a quote for ChemDiv3_011934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011934?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.