Azatadine 2-butenedioate (1:2)
TL;DR: Azatadine 2-butenedioate (1:2) (CAS 3978-86-7) is a chemical compound with molecular formula C28H30N2O8 and molecular weight 522.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Also Known As: Azatadine maleate, Azatadine dimaleate, Azatadine (dimaleate), Azatadine 2-butenedioate (1:2), SW219888-1
| Molecular Formula | C28H30N2O8 |
|---|---|
| Molecular Weight | 522.20 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.2002 |
| Heavy Atoms | 38 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 3978-86-7 |
|---|---|
| SMILES | CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
| InChIKey | SGHXFFAHXTZRQM-UHFFFAOYSA-N |
Product Overview
Azatadine 2-butenedioate (1:2) (CAS 3978-86-7), with molecular formula C28H30N2O8 and molecular weight 522.20 g/mol. IUPAC: bis(but-2-enedioic acid);2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
Chemical Property Profile of Azatadine 2-butenedioate (1:2)
Property Insights of Azatadine 2-butenedioate (1:2)
The XLogP value of 3.13 indicates that Azatadine 2-butenedioate (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Azatadine 2-butenedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azatadine 2-butenedioate (1:2) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azatadine 2-butenedioate (1:2)?
The CAS number of Azatadine 2-butenedioate (1:2) is 3978-86-7.
What is the molecular formula of Azatadine 2-butenedioate (1:2)?
The molecular formula of Azatadine 2-butenedioate (1:2) is C28H30N2O8.
What is the molecular weight of Azatadine 2-butenedioate (1:2)?
The molecular weight of Azatadine 2-butenedioate (1:2) is 522.20 g/mol.
Where can I buy Azatadine 2-butenedioate (1:2)?
You can request a quote for Azatadine 2-butenedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azatadine 2-butenedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Azatadine 2-butenedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.