Etriciguat
TL;DR: Etriciguat (CAS 5323-77-3) is a chemical compound with molecular formula C22H16FN7 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-pyridin-4-ylpyrimidin-4-amine
Also Known As: Etriciguat, Etriciguat [INN], etriciguatum, ETRICIGUAT [WHO-DD], N-(5-amino-2-methoxyphenyl)furan-2-carboxamide
| Molecular Formula | C22H16FN7 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1451 |
| Heavy Atoms | 30 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 5323-77-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC=C(C(=N4)N)C5=CC=NC=C5)F |
| InChIKey | VAIBMQLMFYXTLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etriciguat (CAS 5323-77-3), with molecular formula C22H16FN7 and molecular weight 397.15 g/mol. IUPAC: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-pyridin-4-ylpyrimidin-4-amine.
Chemical Property Profile of Etriciguat
Property Insights of Etriciguat
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etriciguat. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Etriciguat. Following Lipinski's Rule of Five, Etriciguat has 1 hydrogen bond donor(s) and 7 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 Etriciguat?
The CAS number of Etriciguat is 5323-77-3.
What is the molecular formula of Etriciguat?
The molecular formula of Etriciguat is C22H16FN7.
What is the molecular weight of Etriciguat?
The molecular weight of Etriciguat is 397.15 g/mol.
Where can I buy Etriciguat?
You can request a quote for Etriciguat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etriciguat?
Yes, KEHONG BIO provides custom synthesis services for Etriciguat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.