Esmirtazapine Maleate
TL;DR: Esmirtazapine Maleate (CAS 680993-85-5) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
Also Known As: Esmirtazapine maleate, Esmirtazapine, Esmirtazapine maleate [USAN], Org 50081, Mirtazapine maleate, (s)-
| Molecular Formula | C21H23N3O4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 2.1907 |
| Topological Polar Surface Area | 93.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.16885 |
| Heavy Atoms | 28 |
| Complexity | 880.72437 |
Chemical Identifiers
| CAS Number | 680993-85-5 |
|---|---|
| SMILES | CN1CCN2[C@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4.C(=C\C(=O)O)\C(=O)O |
Product Overview
Esmirtazapine Maleate (CAS 680993-85-5), with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol. IUPAC: (Z)-but-2-enedioic acid;(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.
Chemical Property Profile of Esmirtazapine Maleate
Property Insights of Esmirtazapine Maleate
The XLogP value of 2.1907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esmirtazapine Maleate. The TPSA of 93.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Esmirtazapine Maleate. Following Lipinski's Rule of Five, Esmirtazapine Maleate has 2 hydrogen bond donor(s) and 5 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 Esmirtazapine Maleate?
The CAS number of Esmirtazapine Maleate is 680993-85-5.
What is the molecular formula of Esmirtazapine Maleate?
The molecular formula of Esmirtazapine Maleate is C21H23N3O4.
What is the molecular weight of Esmirtazapine Maleate?
The molecular weight of Esmirtazapine Maleate is 381.17 g/mol.
Where can I buy Esmirtazapine Maleate?
You can request a quote for Esmirtazapine Maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esmirtazapine Maleate?
Yes, KEHONG BIO provides custom synthesis services for Esmirtazapine Maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.