2,5-Diaminotropone
TL;DR: 2,5-Diaminotropone (CAS 36039-40-4) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diaminocyclohepta-2,4,6-trien-1-one
Also Known As: 2,5-Diaminotropone, 2,5-diaminocyclohepta-2,4,6-trien-1-one, 2,5-diamino-cycloheptatrienone, 2,5-Diamino-2,4,6-cycloheptatrien-1-one, 2,5-diaminocyclohepta-2,4,6-trienone
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 36039-40-4 |
|---|---|
| SMILES | C1=CC(=O)C(=CC=C1N)N |
| InChIKey | SNFONUQYPBCAIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Diaminotropone (CAS 36039-40-4), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: 2,5-diaminocyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,5-Diaminotropone
Property Insights of 2,5-Diaminotropone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diaminotropone. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diaminotropone. Following Lipinski's Rule of Five, 2,5-Diaminotropone has 2 hydrogen bond donor(s) and 3 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 2,5-Diaminotropone?
The CAS number of 2,5-Diaminotropone is 36039-40-4.
What is the molecular formula of 2,5-Diaminotropone?
The molecular formula of 2,5-Diaminotropone is C7H8N2O.
What is the molecular weight of 2,5-Diaminotropone?
The molecular weight of 2,5-Diaminotropone is 136.06 g/mol.
Where can I buy 2,5-Diaminotropone?
You can request a quote for 2,5-Diaminotropone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diaminotropone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diaminotropone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.