西酞普兰
TL;DR: 西酞普兰 (CAS 59729-33-8) is a chemical compound with molecular formula C20H21FN2O and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西酞普兰
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
Also Known As: citalopram, Nitalapram, Escitalopram, Cipram, Celexa
| Molecular Formula | C20H21FN2O |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.1638 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
| Melting Point | 182-188 |
| Boiling Point | 347-358 |
| Solubility | Sparingly soluble |
Chemical Identifiers
| CAS Number | 59729-33-8 |
|---|---|
| SMILES | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F |
| InChIKey | WSEQXVZVJXJVFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西酞普兰 (CAS 59729-33-8), with molecular formula C20H21FN2O and molecular weight 324.16 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile.
Chemical Property Profile of 西酞普兰
Property Insights of 西酞普兰
The XLogP value of 3.2 indicates that 西酞普兰 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 西酞普兰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 西酞普兰 has 0 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 西酞普兰?
The CAS number of 西酞普兰 is 59729-33-8.
What is the molecular formula of 西酞普兰?
The molecular formula of 西酞普兰 is C20H21FN2O.
What is the molecular weight of 西酞普兰?
The molecular weight of 西酞普兰 is 324.16 g/mol.
Where can I buy 西酞普兰?
You can request a quote for 西酞普兰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西酞普兰?
Yes, KEHONG BIO provides custom synthesis services for 西酞普兰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.