Aganodine
TL;DR: Aganodine (CAS 86696-87-9) is a chemical compound with molecular formula C9H10Cl2N4 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,7-dichloro-1,3-dihydroisoindol-2-yl)guanidine
Also Known As: Aganodine, Aganodinum, Aganodin, Aganodine [INN], Aganodina
| Molecular Formula | C9H10Cl2N4 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.02826 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 86696-87-9 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2CN1N=C(N)N)Cl)Cl |
| InChIKey | DFKHOVYSCCPSHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aganodine (CAS 86696-87-9), with molecular formula C9H10Cl2N4 and molecular weight 244.03 g/mol. IUPAC: 2-(4,7-dichloro-1,3-dihydroisoindol-2-yl)guanidine.
Chemical Property Profile of Aganodine
Property Insights of Aganodine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aganodine. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aganodine. Following Lipinski's Rule of Five, Aganodine has 2 hydrogen bond donor(s) and 2 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 Aganodine?
The CAS number of Aganodine is 86696-87-9.
What is the molecular formula of Aganodine?
The molecular formula of Aganodine is C9H10Cl2N4.
What is the molecular weight of Aganodine?
The molecular weight of Aganodine is 244.03 g/mol.
Where can I buy Aganodine?
You can request a quote for Aganodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aganodine?
Yes, KEHONG BIO provides custom synthesis services for Aganodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.