ChemDiv1_022273
TL;DR: ChemDiv1_022273 (CAS 329789-60-8) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ChemDiv1_022273, BAS 05014483, BIM-0013807.P001, A1345/0060757, ethyl 5-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C15H15N3O4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 0.37532 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.10626 |
| Heavy Atoms | 22 |
| Complexity | 697.7829 |
Chemical Identifiers
| CAS Number | 329789-60-8 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC=C3C |
Product Overview
ChemDiv1_022273 (CAS 329789-60-8), with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol. IUPAC: ethyl 5-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_022273
Property Insights of ChemDiv1_022273
The XLogP value of 0.37532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_022273. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022273. Following Lipinski's Rule of Five, ChemDiv1_022273 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_022273?
The CAS number of ChemDiv1_022273 is 329789-60-8.
What is the molecular formula of ChemDiv1_022273?
The molecular formula of ChemDiv1_022273 is C15H15N3O4.
What is the molecular weight of ChemDiv1_022273?
The molecular weight of ChemDiv1_022273 is 301.11 g/mol.
Where can I buy ChemDiv1_022273?
You can request a quote for ChemDiv1_022273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022273?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.