A4014/0171169
TL;DR: A4014/0171169 (CAS 1005128-35-7) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5'-nitro-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate
Also Known As: A4014/0171169, ethyl 5-nitro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate, ethyl 5'-nitro-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate, ethyl 5-nitro-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylate
| Molecular Formula | C17H19N3O5 |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 1.7896 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.13248 |
| Heavy Atoms | 25 |
| Complexity | 779.5469 |
Chemical Identifiers
| CAS Number | 1005128-35-7 |
|---|---|
| SMILES | CCOC(=O)C1CC2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)N4C1CCC4 |
Product Overview
A4014/0171169 (CAS 1005128-35-7), with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol. IUPAC: ethyl 5'-nitro-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate.
Chemical Property Profile of A4014/0171169
Property Insights of A4014/0171169
The XLogP value of 1.7896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4014/0171169. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for A4014/0171169. Following Lipinski's Rule of Five, A4014/0171169 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 A4014/0171169?
The CAS number of A4014/0171169 is 1005128-35-7.
What is the molecular formula of A4014/0171169?
The molecular formula of A4014/0171169 is C17H19N3O5.
What is the molecular weight of A4014/0171169?
The molecular weight of A4014/0171169 is 345.13 g/mol.
Where can I buy A4014/0171169?
You can request a quote for A4014/0171169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4014/0171169?
Yes, KEHONG BIO provides custom synthesis services for A4014/0171169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.