盐酸舍曲林
TL;DR: 盐酸舍曲林 (CAS 79559-97-0) is a chemical compound with molecular formula C17H18Cl3N and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
盐酸舍曲林
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Also Known As: Sertraline hydrochloride, Sertraline HCl, Zoloft, sertraline, Gladem
| Molecular Formula | C17H18Cl3N |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.05048 |
| Heavy Atoms | 21 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 79559-97-0 |
|---|---|
| SMILES | CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl |
| InChIKey | BLFQGGGGFNSJKA-XHXSRVRCSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
盐酸舍曲林 (CAS 79559-97-0), with molecular formula C17H18Cl3N and molecular weight 341.05 g/mol. IUPAC: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
Chemical Property Profile of 盐酸舍曲林
Property Insights of 盐酸舍曲林
The XLogP value of 5.6 indicates that 盐酸舍曲林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 盐酸舍曲林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 盐酸舍曲林 has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 盐酸舍曲林?
The CAS number of 盐酸舍曲林 is 79559-97-0.
What is the molecular formula of 盐酸舍曲林?
The molecular formula of 盐酸舍曲林 is C17H18Cl3N.
What is the molecular weight of 盐酸舍曲林?
The molecular weight of 盐酸舍曲林 is 341.05 g/mol.
Where can I buy 盐酸舍曲林?
You can request a quote for 盐酸舍曲林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸舍曲林?
Yes, KEHONG BIO provides custom synthesis services for 盐酸舍曲林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.