RefChem:294781
TL;DR: RefChem:294781 (CAS 18188-82-4) is a chemical compound with molecular formula C13H17ClN2O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-2-morpholin-4-ylacetamide;hydrochloride
Also Known As: 4-Morpholineacetamide, N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-, monohydrochloride, N-(4-Hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-4-morpholineacetamide hydrochloride, N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-2-morpholin-4-ylacetamide hydrochloride, N-(4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-2-(morpholin-4-yl)acetamide--hydrogen chloride (1/1), RefChem:294781
| Molecular Formula | C13H17ClN2O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 0.4449 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.08768 |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 18188-82-4 |
|---|---|
| SMILES | C1COCCN1CC(=O)NC2=CC=C(C(=O)C=C2)O.Cl |
| InChIKey | JOEUXJWHZDFBFQ-UHFFFAOYSA-N |
Product Overview
RefChem:294781 (CAS 18188-82-4), with molecular formula C13H17ClN2O4 and molecular weight 300.09 g/mol. IUPAC: N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-2-morpholin-4-ylacetamide;hydrochloride.
Chemical Property Profile of RefChem:294781
Property Insights of RefChem:294781
The XLogP value of 0.4449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:294781. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:294781. Following Lipinski's Rule of Five, RefChem:294781 has 3 hydrogen bond donor(s) and 5 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:294781?
The CAS number of RefChem:294781 is 18188-82-4.
What is the molecular formula of RefChem:294781?
The molecular formula of RefChem:294781 is C13H17ClN2O4.
What is the molecular weight of RefChem:294781?
The molecular weight of RefChem:294781 is 300.09 g/mol.
Where can I buy RefChem:294781?
You can request a quote for RefChem:294781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:294781?
Yes, KEHONG BIO provides custom synthesis services for RefChem:294781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.