A3913/0166453
TL;DR: A3913/0166453 (CAS 1005085-85-7) is a chemical compound with molecular formula C23H18FN3O5 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(1,3-benzodioxol-5-yl)-5-fluorospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Also Known As: A3913/0166453, 2'-(1,3-benzodioxol-5-yl)-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'-(1,3-benzodioxol-5-yl)-5-fluorospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
| Molecular Formula | C23H18FN3O5 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 1.9856 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.12305 |
| Heavy Atoms | 32 |
| Complexity | 1248.1328 |
Chemical Identifiers
| CAS Number | 1005085-85-7 |
|---|---|
| SMILES | C1CC2C3C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C6(N2C1)C7=C(C=CC(=C7)F)NC6=O |
Product Overview
A3913/0166453 (CAS 1005085-85-7), with molecular formula C23H18FN3O5 and molecular weight 435.12 g/mol. IUPAC: 2'-(1,3-benzodioxol-5-yl)-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 A3913/0166453
Property Insights of A3913/0166453
The XLogP value of 1.9856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3913/0166453. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for A3913/0166453. Following Lipinski's Rule of Five, A3913/0166453 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 A3913/0166453?
The CAS number of A3913/0166453 is 1005085-85-7.
What is the molecular formula of A3913/0166453?
The molecular formula of A3913/0166453 is C23H18FN3O5.
What is the molecular weight of A3913/0166453?
The molecular weight of A3913/0166453 is 435.12 g/mol.
Where can I buy A3913/0166453?
You can request a quote for A3913/0166453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3913/0166453?
Yes, KEHONG BIO provides custom synthesis services for A3913/0166453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.