N-Desethyl Milnacipran
TL;DR: N-Desethyl Milnacipran (CAS 105310-07-4) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1R,2S)-2-(aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
Also Known As: N-Desethyl Milnacipran, N-Deethylated Milnacipran, Milnacipran metabolite, 7-methyl-1,3-benzoxazole, F-2800
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 105310-07-4 |
|---|---|
| SMILES | CCNC(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2 |
| InChIKey | UVKUMJGXPDEXSQ-YPMHNXCESA-N |
Product Overview
N-Desethyl Milnacipran (CAS 105310-07-4), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: cis-(1R,2S)-2-(aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide.
Chemical Property Profile of N-Desethyl Milnacipran
Property Insights of N-Desethyl Milnacipran
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desethyl Milnacipran. With a topological polar surface area (TPSA) of 55.1 Ų, N-Desethyl Milnacipran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desethyl Milnacipran has 2 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-Desethyl Milnacipran?
The CAS number of N-Desethyl Milnacipran is 105310-07-4.
What is the molecular formula of N-Desethyl Milnacipran?
The molecular formula of N-Desethyl Milnacipran is C13H18N2O.
What is the molecular weight of N-Desethyl Milnacipran?
The molecular weight of N-Desethyl Milnacipran is 218.14 g/mol.
Where can I buy N-Desethyl Milnacipran?
You can request a quote for N-Desethyl Milnacipran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desethyl Milnacipran?
Yes, KEHONG BIO provides custom synthesis services for N-Desethyl Milnacipran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.