![3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one structure](/static/products/5117/5117-50-0.webp)
3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one
TL;DR: 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one (CAS 5117-50-0) is a chemical compound with molecular formula C12H11Cl2NO3 and molecular weight 287.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-4-[2-hydroxyethyl(methyl)amino]chromen-2-one
Also Known As: 3,6-dichloro-4-[2-hydroxyethyl(methyl)amino]chromen-2-one, 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one, 3,6-dichloro-4-[(2-hydroxy-ethyl)-methyl-amino]-chromen-2-one
| Molecular Formula | C12H11Cl2NO3 |
|---|---|
| Molecular Weight | 287.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0116 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 5117-50-0 |
|---|---|
| SMILES | CN(CCO)C1=C(C(=O)OC2=C1C=C(C=C2)Cl)Cl |
| InChIKey | MXNPJQROULMURF-UHFFFAOYSA-N |
Product Overview
3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one (CAS 5117-50-0), with molecular formula C12H11Cl2NO3 and molecular weight 287.01 g/mol. IUPAC: 3,6-dichloro-4-[2-hydroxyethyl(methyl)amino]chromen-2-one.
Chemical Property Profile of 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one
Property Insights of 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 49.8 Ų, 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one has 1 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 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one?
The CAS number of 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one is 5117-50-0.
What is the molecular formula of 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one?
The molecular formula of 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one is C12H11Cl2NO3.
What is the molecular weight of 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one?
The molecular weight of 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one is 287.01 g/mol.
Where can I buy 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one?
You can request a quote for 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichloro-4-[(2-hydroxyethyl)(methyl)amino]-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.