NCI60_003337
TL;DR: NCI60_003337 (CAS 81547-29-7) is a chemical compound with molecular formula C23H26N4O2 and molecular weight 390.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-[(N-benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
Also Known As: NCI60_003337, Spiro(1-azabicyclo(2.2.2)octane-3,4'-imidazolidine)-2',5'-dione, 1'-((phenyl(phenylmethyl)amino)methyl)-, 3'-[(N-benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-, 3'-[(N-benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione, 3-[(N-benzylanilino)methyl]spiro[imidazolidine-5,3'-quinuclidine]-2,4-dione
| Molecular Formula | C23H26N4O2 |
|---|---|
| Molecular Weight | 390.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.20557 |
| Heavy Atoms | 29 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 81547-29-7 |
|---|---|
| SMILES | C1CN2CCC1C3(C2)C(=O)N(C(=O)N3)CN(CC4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | CHPHBKYGPSWUQY-UHFFFAOYSA-N |
Product Overview
NCI60_003337 (CAS 81547-29-7), with molecular formula C23H26N4O2 and molecular weight 390.21 g/mol. IUPAC: 3'-[(N-benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione.
Chemical Property Profile of NCI60_003337
Property Insights of NCI60_003337
The XLogP value of 3.0 indicates that NCI60_003337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, NCI60_003337 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_003337 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 NCI60_003337?
The CAS number of NCI60_003337 is 81547-29-7.
What is the molecular formula of NCI60_003337?
The molecular formula of NCI60_003337 is C23H26N4O2.
What is the molecular weight of NCI60_003337?
The molecular weight of NCI60_003337 is 390.21 g/mol.
Where can I buy NCI60_003337?
You can request a quote for NCI60_003337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003337?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.