N-Desmethyldoxylamine
TL;DR: N-Desmethyldoxylamine (CAS 55462-54-9) is a chemical compound with molecular formula C16H20N2O and molecular weight 256.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
Also Known As: N-Desmethyldoxylamine, DEMETHYLDOXYLAMINE, Doxylamine Impurity 9, Doxylamine EP Impurity 5, Doxylamine N-Desmethyl Impurity
| Molecular Formula | C16H20N2O |
|---|---|
| Molecular Weight | 256.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 34.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.15756 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 55462-54-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCNC |
| InChIKey | VCONERXBEFNHJS-UHFFFAOYSA-N |
Product Overview
N-Desmethyldoxylamine (CAS 55462-54-9), with molecular formula C16H20N2O and molecular weight 256.16 g/mol. IUPAC: N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine.
Chemical Property Profile of N-Desmethyldoxylamine
Property Insights of N-Desmethyldoxylamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethyldoxylamine. With a topological polar surface area (TPSA) of 34.2 Ų, N-Desmethyldoxylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyldoxylamine 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-Desmethyldoxylamine?
The CAS number of N-Desmethyldoxylamine is 55462-54-9.
What is the molecular formula of N-Desmethyldoxylamine?
The molecular formula of N-Desmethyldoxylamine is C16H20N2O.
What is the molecular weight of N-Desmethyldoxylamine?
The molecular weight of N-Desmethyldoxylamine is 256.16 g/mol.
Where can I buy N-Desmethyldoxylamine?
You can request a quote for N-Desmethyldoxylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyldoxylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyldoxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.