N-Desmethylnefopam
TL;DR: N-Desmethylnefopam (CAS 46868-19-3) is a chemical compound with molecular formula C16H17NO and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
Also Known As: N-Desmethylnefopam, Nornefopam, Nomefopam, nor-nefopam, Desmethyl nefopam
| Molecular Formula | C16H17NO |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.13101 |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 46868-19-3 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C2CN1)C3=CC=CC=C3 |
| InChIKey | ZMOHJRCONJZNKH-UHFFFAOYSA-N |
Product Overview
N-Desmethylnefopam (CAS 46868-19-3), with molecular formula C16H17NO and molecular weight 239.13 g/mol. IUPAC: 1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine.
Chemical Property Profile of N-Desmethylnefopam
Property Insights of N-Desmethylnefopam
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethylnefopam. With a topological polar surface area (TPSA) of 21.3 Ų, N-Desmethylnefopam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethylnefopam has 1 hydrogen bond donor(s) and 2 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-Desmethylnefopam?
The CAS number of N-Desmethylnefopam is 46868-19-3.
What is the molecular formula of N-Desmethylnefopam?
The molecular formula of N-Desmethylnefopam is C16H17NO.
What is the molecular weight of N-Desmethylnefopam?
The molecular weight of N-Desmethylnefopam is 239.13 g/mol.
Where can I buy N-Desmethylnefopam?
You can request a quote for N-Desmethylnefopam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethylnefopam?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethylnefopam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.