2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride (CAS 34692-97-2) is a chemical compound with molecular formula C7H9ClN2O and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-7-oxocyclohepta-1,3,5-trien-1-yl)azanium chloride
Also Known As: 2,5-Diaminotropone hydrochloride, 2,5-Diamino-2,4,6-cycloheptatrien-1-one hydrochloride, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,5-DIAMINO-, HYDROCHLORIDE, (4-amino-7-oxocyclohepta-1,3,5-trien-1-yl)azanium chloride, RefChem:1059609
| Molecular Formula | C7H9ClN2O |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | -3.49 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.04034 |
| Heavy Atoms | 11 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 34692-97-2 |
|---|---|
| SMILES | C1=CC(=O)C(=CC=C1N)[NH3+].[Cl-] |
| InChIKey | RDYYAVXCQKBLOM-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride (CAS 34692-97-2), with molecular formula C7H9ClN2O and molecular weight 172.04 g/mol. IUPAC: (4-amino-7-oxocyclohepta-1,3,5-trien-1-yl)azanium chloride.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride
The XLogP value of -3.49 indicates that 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride 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 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride is 34692-97-2.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride is C7H9ClN2O.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride is 172.04 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.