2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride
TL;DR: 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride (CAS 67268-59-1) is a chemical compound with molecular formula C16H18ClNO3 and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(dimethylamino)but-2-ynoxy]-4-methylchromen-2-one;hydrochloride
Also Known As: 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride, 7-((4-(Dimethylamino)-2-butynyl)oxy)-4-methyl-2H-1-benzopyran-2-one hydrochloride, 4-Methyl-7-(4-dimethylamino-2-butinyloxy)-cumarin hydrochlorid, 4-Methyl-7-(4-dimethylamino-2-butinyloxy)-cumarin hydrochlorid [German], 7-[4-(dimethylamino)but-2-ynoxy]-4-methylchromen-2-one hydrochloride
| Molecular Formula | C16H18ClNO3 |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.46702 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.09753 |
| Heavy Atoms | 21 |
| Complexity | 725.6051 |
Chemical Identifiers
| CAS Number | 67268-59-1 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OCC#CCN(C)C.Cl |
Product Overview
2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride (CAS 67268-59-1), with molecular formula C16H18ClNO3 and molecular weight 307.10 g/mol. IUPAC: 7-[4-(dimethylamino)but-2-ynoxy]-4-methylchromen-2-one;hydrochloride.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride
Property Insights of 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride
The XLogP value of 2.46702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 42.68 Ų, 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride has 0 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 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride?
The CAS number of 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride is 67268-59-1.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride?
The molecular formula of 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride is C16H18ClNO3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride?
The molecular weight of 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride is 307.10 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride?
You can request a quote for 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-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, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.