N-Demethylloine
TL;DR: N-Demethylloine (CAS 1401-58-7) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
Also Known As: N-Demethylloine, Temuline, Norloline, [?]amine, hexahydro-1H-1,6-epoxypyrrolizin-7-amine
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 1401-58-7 |
|---|---|
| SMILES | C1CN2CC3C(C2C1O3)N |
| InChIKey | SOFXQTNEGHNRMN-UHFFFAOYSA-N |
Product Overview
N-Demethylloine (CAS 1401-58-7), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: 2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine.
Chemical Property Profile of N-Demethylloine
Property Insights of N-Demethylloine
The XLogP value of -0.9 indicates that N-Demethylloine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.5 Ų, N-Demethylloine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Demethylloine 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 N-Demethylloine?
The CAS number of N-Demethylloine is 1401-58-7.
What is the molecular formula of N-Demethylloine?
The molecular formula of N-Demethylloine is C7H12N2O.
What is the molecular weight of N-Demethylloine?
The molecular weight of N-Demethylloine is 140.09 g/mol.
Where can I buy N-Demethylloine?
You can request a quote for N-Demethylloine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Demethylloine?
Yes, KEHONG BIO provides custom synthesis services for N-Demethylloine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.