Didesmethylcitalopram
TL;DR: Didesmethylcitalopram (CAS 67078-89-1) is a chemical compound with molecular formula C18H17FN2O and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
Also Known As: Didemethylcitalopram, Didesmethylcitalopram, Dinorcitalopram, Citalopram metabolite, Didemethyl citalopram
| Molecular Formula | C18H17FN2O |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.13248 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 67078-89-1 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F |
| InChIKey | RKUKMUWCRLRPEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Didesmethylcitalopram (CAS 67078-89-1), with molecular formula C18H17FN2O and molecular weight 296.13 g/mol. IUPAC: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile.
Chemical Property Profile of Didesmethylcitalopram
Property Insights of Didesmethylcitalopram
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Didesmethylcitalopram. With a topological polar surface area (TPSA) of 59.0 Ų, Didesmethylcitalopram exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Didesmethylcitalopram 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 Didesmethylcitalopram?
The CAS number of Didesmethylcitalopram is 67078-89-1.
What is the molecular formula of Didesmethylcitalopram?
The molecular formula of Didesmethylcitalopram is C18H17FN2O.
What is the molecular weight of Didesmethylcitalopram?
The molecular weight of Didesmethylcitalopram is 296.13 g/mol.
Where can I buy Didesmethylcitalopram?
You can request a quote for Didesmethylcitalopram directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didesmethylcitalopram?
Yes, KEHONG BIO provides custom synthesis services for Didesmethylcitalopram and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.