ChemDiv2_006368
TL;DR: ChemDiv2_006368 (CAS 587000-51-9) is a chemical compound with molecular formula C18H16N4O and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(4-methylphenyl)-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
Also Known As: ChemDiv2_006368, IDI1_005083, 3-methyl-5-(4-methylphenyl)-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C18H16N4O |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.13242 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 587000-51-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CN=CC=C4 |
| InChIKey | NJRWOMKXIDBZMC-UHFFFAOYSA-N |
Product Overview
ChemDiv2_006368 (CAS 587000-51-9), with molecular formula C18H16N4O and molecular weight 304.13 g/mol. IUPAC: 3-methyl-5-(4-methylphenyl)-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
Chemical Property Profile of ChemDiv2_006368
Property Insights of ChemDiv2_006368
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006368. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006368. Following Lipinski's Rule of Five, ChemDiv2_006368 has 1 hydrogen bond donor(s) and 3 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 ChemDiv2_006368?
The CAS number of ChemDiv2_006368 is 587000-51-9.
What is the molecular formula of ChemDiv2_006368?
The molecular formula of ChemDiv2_006368 is C18H16N4O.
What is the molecular weight of ChemDiv2_006368?
The molecular weight of ChemDiv2_006368 is 304.13 g/mol.
Where can I buy ChemDiv2_006368?
You can request a quote for ChemDiv2_006368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006368?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.