ChemDiv1_025308
TL;DR: ChemDiv1_025308 (CAS 329328-71-4) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ChemDiv1_025308, BAS 00394281, methyl 5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, 4,6-Dioxo-5-p-tolyl-1,3a,4,5,6,6a-hexahydro-pyrrolo[3,4-c]pyrazole-3-carboxylic
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | -0.01478 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 665.30164 |
Chemical Identifiers
| CAS Number | 329328-71-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OC |
Product Overview
ChemDiv1_025308 (CAS 329328-71-4), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: methyl 5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_025308
Property Insights of ChemDiv1_025308
The XLogP value of -0.01478 indicates that ChemDiv1_025308 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025308. Following Lipinski's Rule of Five, ChemDiv1_025308 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_025308?
The CAS number of ChemDiv1_025308 is 329328-71-4.
What is the molecular formula of ChemDiv1_025308?
The molecular formula of ChemDiv1_025308 is C14H13N3O4.
What is the molecular weight of ChemDiv1_025308?
The molecular weight of ChemDiv1_025308 is 287.09 g/mol.
Where can I buy ChemDiv1_025308?
You can request a quote for ChemDiv1_025308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025308?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.