Tianeptine
TL;DR: Tianeptine (CAS 30123-17-2) is a chemical compound with molecular formula C21H25ClN2NaO4S- and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 7-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid
Also Known As: Tianeptine, Tianeptine sodium salt, monosodium mono(11-((6-carboxyhexyl)amino)-3-chloro-6-methyl-6,11-dihydro-5H-5l4-dibenzo[c,f][1,2]thiazepine-5,5-bis(olate)), sodium 7-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid
| Molecular Formula | C21H25ClN2NaO4S- |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 1.8472 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.11212 |
| Heavy Atoms | 30 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 30123-17-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C3=C(S1([O-])[O-])C=C(C=C3)Cl)NCCCCCCC(=O)O.[Na+] |
| InChIKey | KBNZQVDKURREAX-UHFFFAOYSA-L |
Product Overview
Tianeptine (CAS 30123-17-2), with molecular formula C21H25ClN2NaO4S- and molecular weight 459.11 g/mol. IUPAC: sodium 7-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid.
Chemical Property Profile of Tianeptine
Property Insights of Tianeptine
The XLogP value of 1.8472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tianeptine. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tianeptine. Following Lipinski's Rule of Five, Tianeptine has 2 hydrogen bond donor(s) and 7 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 Tianeptine?
The CAS number of Tianeptine is 30123-17-2.
What is the molecular formula of Tianeptine?
The molecular formula of Tianeptine is C21H25ClN2NaO4S-.
What is the molecular weight of Tianeptine?
The molecular weight of Tianeptine is 459.11 g/mol.
Where can I buy Tianeptine?
You can request a quote for Tianeptine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tianeptine?
Yes, KEHONG BIO provides custom synthesis services for Tianeptine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.