Sertraline, cis-(-)-
TL;DR: Sertraline, cis-(-)- (CAS 79617-98-4) is a chemical compound with molecular formula C17H17Cl2N and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Also Known As: Sertraline enantiomer, (R,R)-Sertraline, sertraline, Sertraline, cis-(-)-, cis-(-)-sertraline
| Molecular Formula | C17H17Cl2N |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0738 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
| Solubility | 28.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 79617-98-4 |
|---|---|
| SMILES | CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | VGKDLMBJGBXTGI-SJKOYZFVSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sertraline, cis-(-)- (CAS 79617-98-4), with molecular formula C17H17Cl2N and molecular weight 305.07 g/mol. IUPAC: (1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
Chemical Property Profile of Sertraline, cis-(-)-
Property Insights of Sertraline, cis-(-)-
The XLogP value of 4.8 indicates that Sertraline, cis-(-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Sertraline, cis-(-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sertraline, cis-(-)- has 1 hydrogen bond donor(s) and 1 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 Sertraline, cis-(-)-?
The CAS number of Sertraline, cis-(-)- is 79617-98-4.
What is the molecular formula of Sertraline, cis-(-)-?
The molecular formula of Sertraline, cis-(-)- is C17H17Cl2N.
What is the molecular weight of Sertraline, cis-(-)-?
The molecular weight of Sertraline, cis-(-)- is 305.07 g/mol.
Where can I buy Sertraline, cis-(-)-?
You can request a quote for Sertraline, cis-(-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sertraline, cis-(-)-?
Yes, KEHONG BIO provides custom synthesis services for Sertraline, cis-(-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.