Irbesartan Impurity 49
TL;DR: Irbesartan Impurity 49 (CAS 235431-63-7) is a chemical compound with molecular formula C24H25N3O and molecular weight 371.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-oxo-2-propyl-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile
Also Known As: Irbesartan Impurity 49, 2-[4-[(4-oxo-2-propyl-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile, 4'-((4-oxo-2-propyl-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile, 4'-[(4-Oxo-2-propyl-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1'-biphenyl]-2-carbonitrile, 4a(2)-[(4-Oxo-2-propyl-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1a(2)-biphenyl]-2-carbonitrile
| Molecular Formula | C24H25N3O |
|---|---|
| Molecular Weight | 371.20 g/mol |
| LogP | 5.07888 |
| Topological Polar Surface Area | 56.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.19977 |
| Heavy Atoms | 28 |
| Complexity | 946.5607 |
Chemical Identifiers
| CAS Number | 235431-63-7 |
|---|---|
| SMILES | CCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N |
Product Overview
Irbesartan Impurity 49 (CAS 235431-63-7), with molecular formula C24H25N3O and molecular weight 371.20 g/mol. IUPAC: 2-[4-[(4-oxo-2-propyl-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile.
Chemical Property Profile of Irbesartan Impurity 49
Property Insights of Irbesartan Impurity 49
The XLogP value of 5.07888 indicates that Irbesartan Impurity 49 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.46 Ų, Irbesartan Impurity 49 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Irbesartan Impurity 49 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Irbesartan Impurity 49?
The CAS number of Irbesartan Impurity 49 is 235431-63-7.
What is the molecular formula of Irbesartan Impurity 49?
The molecular formula of Irbesartan Impurity 49 is C24H25N3O.
What is the molecular weight of Irbesartan Impurity 49?
The molecular weight of Irbesartan Impurity 49 is 371.20 g/mol.
Where can I buy Irbesartan Impurity 49?
You can request a quote for Irbesartan Impurity 49 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irbesartan Impurity 49?
Yes, KEHONG BIO provides custom synthesis services for Irbesartan Impurity 49 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.