Citadiol, (S)-
TL;DR: Citadiol, (S)- (CAS 488787-61-7) is a chemical compound with molecular formula C20H23FN2O2 and molecular weight 342.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
Also Known As: (S)-Citadiol, Citadiol, (S)-, (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile, Citalopram Impurity 15, Citalopram Related Compound II
| Molecular Formula | C20H23FN2O2 |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | 2.76738 |
| Topological Polar Surface Area | 67.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.17435 |
| Heavy Atoms | 25 |
| Complexity | 753.28174 |
Chemical Identifiers
| CAS Number | 488787-61-7 |
|---|---|
| SMILES | CN(C)CCC[C@](C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O |
Product Overview
Citadiol, (S)- (CAS 488787-61-7), with molecular formula C20H23FN2O2 and molecular weight 342.17 g/mol. IUPAC: 4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile.
Chemical Property Profile of Citadiol, (S)-
Property Insights of Citadiol, (S)-
The XLogP value of 2.76738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citadiol, (S)-. The TPSA of 67.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Citadiol, (S)-. Following Lipinski's Rule of Five, Citadiol, (S)- has 2 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 Citadiol, (S)-?
The CAS number of Citadiol, (S)- is 488787-61-7.
What is the molecular formula of Citadiol, (S)-?
The molecular formula of Citadiol, (S)- is C20H23FN2O2.
What is the molecular weight of Citadiol, (S)-?
The molecular weight of Citadiol, (S)- is 342.17 g/mol.
Where can I buy Citadiol, (S)-?
You can request a quote for Citadiol, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citadiol, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Citadiol, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.