Ensifentrine Impurity 41
TL;DR: Ensifentrine Impurity 41 (CAS 298680-31-6) is a chemical compound with molecular formula C26H32N6O3 and molecular weight 476.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]guanidine
Also Known As: Ensifentrine Impurity 41, N-[2-[6,7-Dihydro-9,10-dimethoxy-4-oxo-2-[(2,4,6-trimethylphenyl)imino]-2H-pyrimido[6,1-a]isoquinolin-3(4H)-yl]ethyl]guanidine, (E)-1-(2-(2-(mesitylimino)-9,10-dimethoxy-4-oxo-6,7-dihydro-2H-pyrimido[6,1-a]isoquinolin-3(4H)-yl)ethyl)guanidine
| Molecular Formula | C26H32N6O3 |
|---|---|
| Molecular Weight | 476.25 g/mol |
| LogP | 2.32116 |
| Topological Polar Surface Area | 122.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.2536 |
| Heavy Atoms | 35 |
| Complexity | 1421.657 |
Chemical Identifiers
| CAS Number | 298680-31-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2CCN=C(N)N)OC)OC)C |
Product Overview
Ensifentrine Impurity 41 (CAS 298680-31-6), with molecular formula C26H32N6O3 and molecular weight 476.25 g/mol. IUPAC: 2-[2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]guanidine.
Chemical Property Profile of Ensifentrine Impurity 41
Property Insights of Ensifentrine Impurity 41
The XLogP value of 2.32116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ensifentrine Impurity 41. The TPSA of 122.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ensifentrine Impurity 41. Following Lipinski's Rule of Five, Ensifentrine Impurity 41 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 Ensifentrine Impurity 41?
The CAS number of Ensifentrine Impurity 41 is 298680-31-6.
What is the molecular formula of Ensifentrine Impurity 41?
The molecular formula of Ensifentrine Impurity 41 is C26H32N6O3.
What is the molecular weight of Ensifentrine Impurity 41?
The molecular weight of Ensifentrine Impurity 41 is 476.25 g/mol.
Where can I buy Ensifentrine Impurity 41?
You can request a quote for Ensifentrine Impurity 41 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ensifentrine Impurity 41?
Yes, KEHONG BIO provides custom synthesis services for Ensifentrine Impurity 41 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.