3-Amino-1-imino-5-methoxy-1H-isoindole
TL;DR: 3-Amino-1-imino-5-methoxy-1H-isoindole (CAS 28692-27-5) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-5-methoxyisoindol-1-amine
Also Known As: 1-imino-6-methoxy-1H-isoindol-3-amine, 3-Amino-1-imino-5-methoxy-1H-isoindole, 1H-Isoindol-3-amine, 1-imino-5-methoxy-, 3-imino-5-methoxyisoindol-1-amine, 5-methoxyisoindoline-1,3-diimine
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 28692-27-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=NC2=N)N |
| InChIKey | ULNBACHCVNVEHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-imino-5-methoxy-1H-isoindole (CAS 28692-27-5), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 3-imino-5-methoxyisoindol-1-amine.
Chemical Property Profile of 3-Amino-1-imino-5-methoxy-1H-isoindole
Property Insights of 3-Amino-1-imino-5-methoxy-1H-isoindole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-imino-5-methoxy-1H-isoindole. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-imino-5-methoxy-1H-isoindole. Following Lipinski's Rule of Five, 3-Amino-1-imino-5-methoxy-1H-isoindole 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 3-Amino-1-imino-5-methoxy-1H-isoindole?
The CAS number of 3-Amino-1-imino-5-methoxy-1H-isoindole is 28692-27-5.
What is the molecular formula of 3-Amino-1-imino-5-methoxy-1H-isoindole?
The molecular formula of 3-Amino-1-imino-5-methoxy-1H-isoindole is C9H9N3O.
What is the molecular weight of 3-Amino-1-imino-5-methoxy-1H-isoindole?
The molecular weight of 3-Amino-1-imino-5-methoxy-1H-isoindole is 175.07 g/mol.
Where can I buy 3-Amino-1-imino-5-methoxy-1H-isoindole?
You can request a quote for 3-Amino-1-imino-5-methoxy-1H-isoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-imino-5-methoxy-1H-isoindole?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-imino-5-methoxy-1H-isoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.