Coumarin, hydrochloride
TL;DR: Coumarin, hydrochloride (CAS 73728-41-3) is a chemical compound with molecular formula C16H18ClNO5 and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate;hydrochloride
Also Known As: Coumarin, hydrochloride, 2H-1-Benzopyrancarboxylic acid, 2-oxo-, (2-morpholinoethyl) ester, hydrochloride, (2-Morpholinoethyl) 2-oxo-2H-1-benzopyrancarboxylate hydrochloride, Coumarin, 3-((2-morpholinoethoxy)carbonyl)-, hydrochloride, 2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate
| Molecular Formula | C16H18ClNO5 |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 1.7038 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.08734 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 73728-41-3 |
|---|---|
| SMILES | C1COCCN1CCOC(=O)C2=CC3=CC=CC=C3OC2=O.Cl |
| InChIKey | RVDOWOZIKKZCLE-UHFFFAOYSA-N |
Product Overview
Coumarin, hydrochloride (CAS 73728-41-3), with molecular formula C16H18ClNO5 and molecular weight 339.09 g/mol. IUPAC: 2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate;hydrochloride.
Chemical Property Profile of Coumarin, hydrochloride
Property Insights of Coumarin, hydrochloride
The XLogP value of 1.7038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, hydrochloride. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, hydrochloride. Following Lipinski's Rule of Five, Coumarin, hydrochloride has 1 hydrogen bond donor(s) and 6 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 Coumarin, hydrochloride?
The CAS number of Coumarin, hydrochloride is 73728-41-3.
What is the molecular formula of Coumarin, hydrochloride?
The molecular formula of Coumarin, hydrochloride is C16H18ClNO5.
What is the molecular weight of Coumarin, hydrochloride?
The molecular weight of Coumarin, hydrochloride is 339.09 g/mol.
Where can I buy Coumarin, hydrochloride?
You can request a quote for Coumarin, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.