3M-918
TL;DR: 3M-918 (CAS 318237-86-4) is a chemical compound with molecular formula C22H17F3N4O5 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dioxo-1-(phenylcarbamoyl)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: 3M-918, ethyl 1-(anilinocarbonyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 4,6-dioxo-1-(phenylcarbamoyl)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 4,6-dioxo-1-(phenylcarbamoyl)-5-[3-(trifluoromethyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl4,6-dioxo-1-(phenylcarbamoyl)-5-[3-(trifluoromethyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C22H17F3N4O5 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 3.0302 |
| Topological Polar Surface Area | 108.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.1151 |
| Heavy Atoms | 34 |
| Complexity | 1198.5262 |
Chemical Identifiers
| CAS Number | 318237-86-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)NC4=CC=CC=C4 |
Product Overview
3M-918 (CAS 318237-86-4), with molecular formula C22H17F3N4O5 and molecular weight 474.12 g/mol. IUPAC: ethyl 4,6-dioxo-1-(phenylcarbamoyl)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of 3M-918
Property Insights of 3M-918
The XLogP value of 3.0302 indicates that 3M-918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3M-918. Following Lipinski's Rule of Five, 3M-918 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 3M-918?
The CAS number of 3M-918 is 318237-86-4.
What is the molecular formula of 3M-918?
The molecular formula of 3M-918 is C22H17F3N4O5.
What is the molecular weight of 3M-918?
The molecular weight of 3M-918 is 474.12 g/mol.
Where can I buy 3M-918?
You can request a quote for 3M-918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3M-918?
Yes, KEHONG BIO provides custom synthesis services for 3M-918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.