Neooncinotine
TL;DR: Neooncinotine (CAS 53602-28-1) is a chemical compound with molecular formula C23H45N3O and molecular weight 379.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
Also Known As: Neooncinotine, (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one, (18R)-6-(3-aminopropyl)-1,6-diazabicyclo(16.4.0)docosan-7-one, 2H-Pyrido(1,2-f)(1,6)diazacyclooctadecin-11(6H)-one, 10-(3-aminopropyl)octadecahydro-, (R)-, 2H-Pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one, 10-(3-aminopropyl)octadecahydro-, (R)-
| Molecular Formula | C23H45N3O |
|---|---|
| Molecular Weight | 379.36 g/mol |
| LogP | 4.7131 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.35626 |
| Heavy Atoms | 27 |
| Complexity | 387.81976 |
Chemical Identifiers
| CAS Number | 53602-28-1 |
|---|---|
| SMILES | C1CCCCCC(=O)N(CCCCN2CCCC[C@H]2CCCC1)CCCN |
Product Overview
Neooncinotine (CAS 53602-28-1), with molecular formula C23H45N3O and molecular weight 379.36 g/mol. IUPAC: (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one.
Chemical Property Profile of Neooncinotine
Property Insights of Neooncinotine
The XLogP value of 4.7131 indicates that Neooncinotine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, Neooncinotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neooncinotine has 1 hydrogen bond donor(s) and 3 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 Neooncinotine?
The CAS number of Neooncinotine is 53602-28-1.
What is the molecular formula of Neooncinotine?
The molecular formula of Neooncinotine is C23H45N3O.
What is the molecular weight of Neooncinotine?
The molecular weight of Neooncinotine is 379.36 g/mol.
Where can I buy Neooncinotine?
You can request a quote for Neooncinotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neooncinotine?
Yes, KEHONG BIO provides custom synthesis services for Neooncinotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.