草酸艾司西酞普兰
TL;DR: 草酸艾司西酞普兰 (CAS 219861-53-7) is a chemical compound with molecular formula C22H23FN2O5 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草酸艾司西酞普兰
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
Also Known As: Escitalopram oxalate, Lexapro, Escitalopram, Cipralex, (S)-Citalopram Oxalate
| Molecular Formula | C22H23FN2O5 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 2.96858 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1591 |
| Heavy Atoms | 30 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 219861-53-7 |
|---|---|
| SMILES | CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O |
| InChIKey | KTGRHKOEFSJQNS-BDQAORGHSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草酸艾司西酞普兰 (CAS 219861-53-7), with molecular formula C22H23FN2O5 and molecular weight 414.16 g/mol. IUPAC: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid.
Chemical Property Profile of 草酸艾司西酞普兰
Property Insights of 草酸艾司西酞普兰
The XLogP value of 2.96858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 草酸艾司西酞普兰. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 草酸艾司西酞普兰. Following Lipinski's Rule of Five, 草酸艾司西酞普兰 has 2 hydrogen bond donor(s) and 8 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 草酸艾司西酞普兰?
The CAS number of 草酸艾司西酞普兰 is 219861-53-7.
What is the molecular formula of 草酸艾司西酞普兰?
The molecular formula of 草酸艾司西酞普兰 is C22H23FN2O5.
What is the molecular weight of 草酸艾司西酞普兰?
The molecular weight of 草酸艾司西酞普兰 is 414.16 g/mol.
Where can I buy 草酸艾司西酞普兰?
You can request a quote for 草酸艾司西酞普兰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草酸艾司西酞普兰?
Yes, KEHONG BIO provides custom synthesis services for 草酸艾司西酞普兰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.