ChemDiv1_022317
TL;DR: ChemDiv1_022317 (CAS 342417-40-7) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2,3-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ChemDiv1_022317, BAS 00610322, ethyl 5-(2,3-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(2,3-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, ETHYL 5-(2,3-DIMETHYLPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 0.68374 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 740.84094 |
Chemical Identifiers
| CAS Number | 342417-40-7 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC(=C3C)C |
Product Overview
ChemDiv1_022317 (CAS 342417-40-7), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: ethyl 5-(2,3-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_022317
Property Insights of ChemDiv1_022317
The XLogP value of 0.68374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_022317. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022317. Following Lipinski's Rule of Five, ChemDiv1_022317 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_022317?
The CAS number of ChemDiv1_022317 is 342417-40-7.
What is the molecular formula of ChemDiv1_022317?
The molecular formula of ChemDiv1_022317 is C16H17N3O4.
What is the molecular weight of ChemDiv1_022317?
The molecular weight of ChemDiv1_022317 is 315.12 g/mol.
Where can I buy ChemDiv1_022317?
You can request a quote for ChemDiv1_022317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022317?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.