RefChem:1061929
TL;DR: RefChem:1061929 (CAS 73713-72-1) is a chemical compound with molecular formula C16H17ClN2O7 and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxochromene-3-carboxylate chloride
Also Known As: 2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-oxo-, morpholinoethyl ester, hydrochloride, 2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxochromene-3-carboxylate chloride, 6-Nitro-2-oxo-2H-1-benzopyran-3-carboxylic acid morpholinoethyl ester hydrochloride, 2-(Morpholin-4-yl)ethyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate--hydrogen chloride (1/1), 2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-oxo-, 2-(4-morpholinyl)ethyl ester, hydrochloride
| Molecular Formula | C16H17ClN2O7 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | -3.22 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.07242 |
| Heavy Atoms | 26 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 73713-72-1 |
|---|---|
| SMILES | C1COCC[NH+]1CCOC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O.[Cl-] |
| InChIKey | IJWNLGDHZFECJX-UHFFFAOYSA-N |
Product Overview
RefChem:1061929 (CAS 73713-72-1), with molecular formula C16H17ClN2O7 and molecular weight 384.07 g/mol. IUPAC: 2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxochromene-3-carboxylate chloride.
Chemical Property Profile of RefChem:1061929
Property Insights of RefChem:1061929
The XLogP value of -3.22 indicates that RefChem:1061929 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061929. Following Lipinski's Rule of Five, RefChem:1061929 has 1 hydrogen bond donor(s) and 8 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:1061929?
The CAS number of RefChem:1061929 is 73713-72-1.
What is the molecular formula of RefChem:1061929?
The molecular formula of RefChem:1061929 is C16H17ClN2O7.
What is the molecular weight of RefChem:1061929?
The molecular weight of RefChem:1061929 is 384.07 g/mol.
Where can I buy RefChem:1061929?
You can request a quote for RefChem:1061929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.