ZERO/004527
TL;DR: ZERO/004527 (CAS 1005095-76-0) is a chemical compound with molecular formula C18H21FN2O3 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5'-fluoro-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-1-carboxylate
Also Known As: ZERO/004527, ethyl 5'-fluoro-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-1-carboxylate, ethyl 5-fluoro-1-methyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate, Ethyl 5-fluoro-1,1',2,2',5',6',7',7'a-octahydro-1-methyl-2-oxospiro[3H-indole-3,3'-[3H]pyrrolizine]-1'-carboxylate, ETHYL 5-FLUORO-1-METHYL-2-OXO-1,1',2,2',5',6',7',7'A-OCTAHYDROSPIRO[INDOLE-3,3'-PYRROLIZINE]-1'-CARBOXYLATE
| Molecular Formula | C18H21FN2O3 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 2.0448 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.15363 |
| Heavy Atoms | 24 |
| Complexity | 722.21545 |
Chemical Identifiers
| CAS Number | 1005095-76-0 |
|---|---|
| SMILES | CCOC(=O)C1CC2(C3=C(C=CC(=C3)F)N(C2=O)C)N4C1CCC4 |
Product Overview
ZERO/004527 (CAS 1005095-76-0), with molecular formula C18H21FN2O3 and molecular weight 332.15 g/mol. IUPAC: ethyl 5'-fluoro-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-1-carboxylate.
Chemical Property Profile of ZERO/004527
Property Insights of ZERO/004527
The XLogP value of 2.0448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/004527. With a topological polar surface area (TPSA) of 49.85 Ų, ZERO/004527 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ZERO/004527 has 0 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 ZERO/004527?
The CAS number of ZERO/004527 is 1005095-76-0.
What is the molecular formula of ZERO/004527?
The molecular formula of ZERO/004527 is C18H21FN2O3.
What is the molecular weight of ZERO/004527?
The molecular weight of ZERO/004527 is 332.15 g/mol.
Where can I buy ZERO/004527?
You can request a quote for ZERO/004527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/004527?
Yes, KEHONG BIO provides custom synthesis services for ZERO/004527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.