Desmethylcitalopram
TL;DR: Desmethylcitalopram (CAS 144010-85-5) is a chemical compound with molecular formula C19H19FN2O and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile
Also Known As: Desmethylcitalopram, Demethylcitalopram, Monodesmethylcitalopram, Norcitalopram, N-Desmethylcitalopram
| Molecular Formula | C19H19FN2O |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.14813 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 144010-85-5 |
|---|---|
| SMILES | CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F |
| InChIKey | PTJADDMMFYXMMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desmethylcitalopram (CAS 144010-85-5), with molecular formula C19H19FN2O and molecular weight 310.15 g/mol. IUPAC: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile.
Chemical Property Profile of Desmethylcitalopram
Property Insights of Desmethylcitalopram
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethylcitalopram. With a topological polar surface area (TPSA) of 45.1 Ų, Desmethylcitalopram exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desmethylcitalopram has 1 hydrogen bond donor(s) and 4 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 Desmethylcitalopram?
The CAS number of Desmethylcitalopram is 144010-85-5.
What is the molecular formula of Desmethylcitalopram?
The molecular formula of Desmethylcitalopram is C19H19FN2O.
What is the molecular weight of Desmethylcitalopram?
The molecular weight of Desmethylcitalopram is 310.15 g/mol.
Where can I buy Desmethylcitalopram?
You can request a quote for Desmethylcitalopram directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylcitalopram?
Yes, KEHONG BIO provides custom synthesis services for Desmethylcitalopram and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.