氢溴酸西酞普兰
TL;DR: 氢溴酸西酞普兰 (CAS 59729-32-7) is a chemical compound with molecular formula C20H22BrFN2O and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氢溴酸西酞普兰
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
Also Known As: citalopram hydrobromide, Citalopram HBr, Celexa, Cipramil, Seropram
| Molecular Formula | C20H22BrFN2O |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 4.39 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.08994 |
| Heavy Atoms | 25 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 59729-32-7 |
|---|---|
| SMILES | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br |
| InChIKey | WIHMBLDNRMIGDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氢溴酸西酞普兰 (CAS 59729-32-7), with molecular formula C20H22BrFN2O and molecular weight 404.09 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide.
Chemical Property Profile of 氢溴酸西酞普兰
Property Insights of 氢溴酸西酞普兰
The XLogP value of 4.39 indicates that 氢溴酸西酞普兰 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 氢溴酸西酞普兰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氢溴酸西酞普兰 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 氢溴酸西酞普兰?
The CAS number of 氢溴酸西酞普兰 is 59729-32-7.
What is the molecular formula of 氢溴酸西酞普兰?
The molecular formula of 氢溴酸西酞普兰 is C20H22BrFN2O.
What is the molecular weight of 氢溴酸西酞普兰?
The molecular weight of 氢溴酸西酞普兰 is 404.09 g/mol.
Where can I buy 氢溴酸西酞普兰?
You can request a quote for 氢溴酸西酞普兰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氢溴酸西酞普兰?
Yes, KEHONG BIO provides custom synthesis services for 氢溴酸西酞普兰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.