Citalopram Carboxaldehyde
TL;DR: Citalopram Carboxaldehyde (CAS 227954-87-2) is a chemical compound with molecular formula C20H22FNO2 and molecular weight 327.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbaldehyde
Also Known As: Citalopram Carboxaldehyde, Citalopram Impurity 22, J3.499.017D, 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxaldehyde, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbaldehyde
| Molecular Formula | C20H22FNO2 |
|---|---|
| Molecular Weight | 327.16 g/mol |
| LogP | 3.7538 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.16345 |
| Heavy Atoms | 24 |
| Complexity | 726.91876 |
Chemical Identifiers
| CAS Number | 227954-87-2 |
|---|---|
| SMILES | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C=O)C3=CC=C(C=C3)F |
Product Overview
Citalopram Carboxaldehyde (CAS 227954-87-2), with molecular formula C20H22FNO2 and molecular weight 327.16 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbaldehyde.
Chemical Property Profile of Citalopram Carboxaldehyde
Property Insights of Citalopram Carboxaldehyde
The XLogP value of 3.7538 indicates that Citalopram Carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Citalopram Carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citalopram Carboxaldehyde has 0 hydrogen bond donor(s) and 3 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 Citalopram Carboxaldehyde?
The CAS number of Citalopram Carboxaldehyde is 227954-87-2.
What is the molecular formula of Citalopram Carboxaldehyde?
The molecular formula of Citalopram Carboxaldehyde is C20H22FNO2.
What is the molecular weight of Citalopram Carboxaldehyde?
The molecular weight of Citalopram Carboxaldehyde is 327.16 g/mol.
Where can I buy Citalopram Carboxaldehyde?
You can request a quote for Citalopram Carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citalopram Carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Citalopram Carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.