RefChem:314546
TL;DR: RefChem:314546 (CAS 18188-80-2) is a chemical compound with molecular formula C13H19ClN2O3 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide;hydrochloride
Also Known As: 5-Diethylaminoacetamidotropolone hydrochloride, Acetamide, 2-(diethylamino)-N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-, monohydrochloride, 2-(Diethylamino)-N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)acetamide hydrochloride, 2-(diethylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide hydrochloride, N~2~,N~2~-Diethyl-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)glycinamide--hydrogen chloride (1/1)
| Molecular Formula | C13H19ClN2O3 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 1.4545 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.10843 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 18188-80-2 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=CC=C(C(=O)C=C1)O.Cl |
| InChIKey | RIYFVLHUNLKSNK-UHFFFAOYSA-N |
Product Overview
RefChem:314546 (CAS 18188-80-2), with molecular formula C13H19ClN2O3 and molecular weight 286.11 g/mol. IUPAC: 2-(diethylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide;hydrochloride.
Chemical Property Profile of RefChem:314546
Property Insights of RefChem:314546
The XLogP value of 1.4545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314546. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314546. Following Lipinski's Rule of Five, RefChem:314546 has 3 hydrogen bond donor(s) and 4 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 RefChem:314546?
The CAS number of RefChem:314546 is 18188-80-2.
What is the molecular formula of RefChem:314546?
The molecular formula of RefChem:314546 is C13H19ClN2O3.
What is the molecular weight of RefChem:314546?
The molecular weight of RefChem:314546 is 286.11 g/mol.
Where can I buy RefChem:314546?
You can request a quote for RefChem:314546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314546?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.