AN-919/40736984
TL;DR: AN-919/40736984 (CAS 1008979-86-9) is a chemical compound with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-acetylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: AN-919/40736984, ethyl 5-(4-acetylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(4-acetylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C16H15N3O5 |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 0.2695 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.10117 |
| Heavy Atoms | 24 |
| Complexity | 768.4225 |
Chemical Identifiers
| CAS Number | 1008979-86-9 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)C |
Product Overview
AN-919/40736984 (CAS 1008979-86-9), with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol. IUPAC: ethyl 5-(4-acetylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of AN-919/40736984
Property Insights of AN-919/40736984
The XLogP value of 0.2695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-919/40736984. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-919/40736984. Following Lipinski's Rule of Five, AN-919/40736984 has 1 hydrogen bond donor(s) and 7 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 AN-919/40736984?
The CAS number of AN-919/40736984 is 1008979-86-9.
What is the molecular formula of AN-919/40736984?
The molecular formula of AN-919/40736984 is C16H15N3O5.
What is the molecular weight of AN-919/40736984?
The molecular weight of AN-919/40736984 is 329.10 g/mol.
Where can I buy AN-919/40736984?
You can request a quote for AN-919/40736984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-919/40736984?
Yes, KEHONG BIO provides custom synthesis services for AN-919/40736984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.