A3947/0168108
TL;DR: A3947/0168108 (CAS 1005085-00-6) is a chemical compound with molecular formula C24H22FN3O3 and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(3,4-dimethylphenyl)-5-fluorospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Also Known As: A3947/0168108, 2'-(3,4-dimethylphenyl)-5-fluoro-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione, 2'-(3,4-dimethylphenyl)-5-fluorospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
| Molecular Formula | C24H22FN3O3 |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 2.87374 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 419.16452 |
| Heavy Atoms | 31 |
| Complexity | 1194.5872 |
Chemical Identifiers
| CAS Number | 1005085-00-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C=CC(=C6)F)NC5=O)C |
Product Overview
A3947/0168108 (CAS 1005085-00-6), with molecular formula C24H22FN3O3 and molecular weight 419.16 g/mol. IUPAC: 2'-(3,4-dimethylphenyl)-5-fluorospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.
Chemical Property Profile of A3947/0168108
Property Insights of A3947/0168108
The XLogP value of 2.87374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3947/0168108. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A3947/0168108. Following Lipinski's Rule of Five, A3947/0168108 has 1 hydrogen bond donor(s) and 4 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 A3947/0168108?
The CAS number of A3947/0168108 is 1005085-00-6.
What is the molecular formula of A3947/0168108?
The molecular formula of A3947/0168108 is C24H22FN3O3.
What is the molecular weight of A3947/0168108?
The molecular weight of A3947/0168108 is 419.16 g/mol.
Where can I buy A3947/0168108?
You can request a quote for A3947/0168108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3947/0168108?
Yes, KEHONG BIO provides custom synthesis services for A3947/0168108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.