Tianeptine sodium
TL;DR: Tianeptine sodium (CAS 169293-32-7) 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.
Also Known As: Tianeptine sodium, (+)-Tianeptine Monosodium Salt, 123T172, 7-[[3-Chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl]amino]heptanoic acid S,S-dioxide sodium salt hydrate, sodium 7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate S,S-dioxide
| Molecular Formula | C21H25ClN2NaO4S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 3.8118 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.11212 |
| Heavy Atoms | 30 |
| Complexity | 1000.2509 |
Chemical Identifiers
| CAS Number | 169293-32-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O.[Na] |
Product Overview
Tianeptine sodium (CAS 169293-32-7), with molecular formula C21H25ClN2NaO4S and molecular weight 459.11 g/mol.
Chemical Property Profile of Tianeptine sodium
Property Insights of Tianeptine sodium
The XLogP value of 3.8118 indicates that Tianeptine sodium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Tianeptine sodium. Following Lipinski's Rule of Five, Tianeptine sodium 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 Tianeptine sodium?
The CAS number of Tianeptine sodium is 169293-32-7.
What is the molecular formula of Tianeptine sodium?
The molecular formula of Tianeptine sodium is C21H25ClN2NaO4S.
What is the molecular weight of Tianeptine sodium?
The molecular weight of Tianeptine sodium is 459.11 g/mol.
Where can I buy Tianeptine sodium?
You can request a quote for Tianeptine sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tianeptine sodium?
Yes, KEHONG BIO provides custom synthesis services for Tianeptine sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.