Pyrinoline
TL;DR: Pyrinoline (CAS 1740-22-3) is a chemical compound with molecular formula C27H20N4O and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol
Also Known As: Pyrinoline, Surexin, Pirinolina, Surexin (TN), Pyrinoline [USAN:INN]
| Molecular Formula | C27H20N4O |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 4.5008 |
| Topological Polar Surface Area | 71.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1637 |
| Heavy Atoms | 32 |
| Complexity | 1218.1494 |
Chemical Identifiers
| CAS Number | 1740-22-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(=C2C=CC(=C2)C(C3=CC=CC=N3)(C4=CC=CC=N4)O)C5=CC=CC=N5 |
Product Overview
Pyrinoline (CAS 1740-22-3), with molecular formula C27H20N4O and molecular weight 416.16 g/mol. IUPAC: [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol.
Chemical Property Profile of Pyrinoline
Property Insights of Pyrinoline
The XLogP value of 4.5008 indicates that Pyrinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrinoline. Following Lipinski's Rule of Five, Pyrinoline has 1 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 Pyrinoline?
The CAS number of Pyrinoline is 1740-22-3.
What is the molecular formula of Pyrinoline?
The molecular formula of Pyrinoline is C27H20N4O.
What is the molecular weight of Pyrinoline?
The molecular weight of Pyrinoline is 416.16 g/mol.
Where can I buy Pyrinoline?
You can request a quote for Pyrinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrinoline?
Yes, KEHONG BIO provides custom synthesis services for Pyrinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.