Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride
TL;DR: Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride (CAS 94027-23-3) is a chemical compound with molecular formula C15H18ClNO4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one chloride
Also Known As: 6,7-Dihydroxy-8-(piperidinomethyl)coumarin hydrochloride, COUMARIN, 6,7-DIHYDROXY-8-(PIPERIDINOMETHYL)-, HYDROCHLORIDE, 6,7-dihydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one chloride, RefChem:334443
| Molecular Formula | C15H18ClNO4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | -2.223 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.09244 |
| Heavy Atoms | 21 |
| Complexity | 691.86847 |
Chemical Identifiers
| CAS Number | 94027-23-3 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC2=C3C(=CC(=C2O)O)C=CC(=O)O3.[Cl-] |
Product Overview
Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride (CAS 94027-23-3), with molecular formula C15H18ClNO4 and molecular weight 311.09 g/mol. IUPAC: 6,7-dihydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one chloride.
Chemical Property Profile of Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride
Property Insights of Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride
The XLogP value of -2.223 indicates that Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride. Following Lipinski's Rule of Five, Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride 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 Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride?
The CAS number of Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride is 94027-23-3.
What is the molecular formula of Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride?
The molecular formula of Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride is C15H18ClNO4.
What is the molecular weight of Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride?
The molecular weight of Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride is 311.09 g/mol.
Where can I buy Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride?
You can request a quote for Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 6,7-dihydroxy-8-(piperidinomethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.