Esculamine hydrochloride
TL;DR: Esculamine hydrochloride (CAS 1039-82-3) is a chemical compound with molecular formula C15H20ClNO6 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dihydroxy-4-methyl-2-oxochromen-8-yl)methyl-bis(2-hydroxyethyl)azanium chloride
Also Known As: Esculamine hydrochloride, Coumarin, 8-((bis(2-hydroxyethyl)amino)methyl)-6,7-dihydroxy-4-methyl-, hydrochloride, 8-beta,beta'-Dioxydiethylaminomethyl-4-methylesculatin hydrochloride, (6,7-dihydroxy-4-methyl-2-oxochromen-8-yl)methyl-bis(2-hydroxyethyl)azanium;chloride, (6,7-dihydroxy-4-methyl-2-oxochromen-8-yl)methyl-bis(2-hydroxyethyl)azanium chloride
| Molecular Formula | C15H20ClNO6 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | -4.11388 |
| Topological Polar Surface Area | 115.57 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.0979 |
| Heavy Atoms | 23 |
| Complexity | 723.95935 |
Chemical Identifiers
| CAS Number | 1039-82-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C(C(=C(C=C12)O)O)C[NH+](CCO)CCO.[Cl-] |
Product Overview
Esculamine hydrochloride (CAS 1039-82-3), with molecular formula C15H20ClNO6 and molecular weight 345.10 g/mol. IUPAC: (6,7-dihydroxy-4-methyl-2-oxochromen-8-yl)methyl-bis(2-hydroxyethyl)azanium chloride.
Chemical Property Profile of Esculamine hydrochloride
Property Insights of Esculamine hydrochloride
The XLogP value of -4.11388 indicates that Esculamine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Esculamine hydrochloride. Following Lipinski's Rule of Five, Esculamine hydrochloride has 5 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 Esculamine hydrochloride?
The CAS number of Esculamine hydrochloride is 1039-82-3.
What is the molecular formula of Esculamine hydrochloride?
The molecular formula of Esculamine hydrochloride is C15H20ClNO6.
What is the molecular weight of Esculamine hydrochloride?
The molecular weight of Esculamine hydrochloride is 345.10 g/mol.
Where can I buy Esculamine hydrochloride?
You can request a quote for Esculamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esculamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Esculamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.