ChemDiv1_028076
TL;DR: ChemDiv1_028076 (CAS 347363-84-2) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ChemDiv1_028076, BAS 08768427, A2243/0094484, ETHYL 5-(1-NAPHTHYL)-4,6-DIOXO-1,3A,4,5,6,6A-HEXAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE, ethyl 5-(naphthalen-1-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 1.2201 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 931.56805 |
Chemical Identifiers
| CAS Number | 347363-84-2 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43 |
Product Overview
ChemDiv1_028076 (CAS 347363-84-2), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: ethyl 5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_028076
Property Insights of ChemDiv1_028076
The XLogP value of 1.2201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028076. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028076. Following Lipinski's Rule of Five, ChemDiv1_028076 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_028076?
The CAS number of ChemDiv1_028076 is 347363-84-2.
What is the molecular formula of ChemDiv1_028076?
The molecular formula of ChemDiv1_028076 is C18H15N3O4.
What is the molecular weight of ChemDiv1_028076?
The molecular weight of ChemDiv1_028076 is 337.11 g/mol.
Where can I buy ChemDiv1_028076?
You can request a quote for ChemDiv1_028076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028076?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.