2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride
TL;DR: 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride (CAS 98317-60-3) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-2-oxochromen-4-yl)methylazanium chloride
Also Known As: (6-methyl-2-oxochromen-4-yl)methylazanium chloride, 4-(Aminomethyl)-6-methyl-2H-1-benzopyran-2-one hydrochloride, 2H-1-BENZOPYRAN-2-ONE, 4-(AMINOMETHYL)-6-METHYL-, HYDROCHLORIDE, 4-(Aminomethyl)-6-methylchromen-2-one;hydrochloride, RefChem:1065168
| Molecular Formula | C11H12ClNO2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | -2.15 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.05565 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 98317-60-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)C=C2C[NH3+].[Cl-] |
| InChIKey | TVDZHOWTOPESPR-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride (CAS 98317-60-3), with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol. IUPAC: (6-methyl-2-oxochromen-4-yl)methylazanium chloride.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride
Property Insights of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride
The XLogP value of -2.15 indicates that 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride?
The CAS number of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride is 98317-60-3.
What is the molecular formula of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride?
The molecular formula of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride is C11H12ClNO2.
What is the molecular weight of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride?
The molecular weight of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride is 225.06 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride?
You can request a quote for 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.