RefChem:1061795
TL;DR: RefChem:1061795 (CAS 35689-07-7) is a chemical compound with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-dimethylazanium chloride
Also Known As: 6-Methoxy-3-methyl-2-benzofurancarboxylic acid dimethylaminoethyl ester hydrochloride, 2-Benzofurancarboxylic acid, 6-methoxy-3-methyl-, dimethylaminoethyl ester, hydrochloride, 2-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-dimethylazanium chloride, 2-(Dimethylamino)ethyl 6-methoxy-3-methyl-1-benzofuran-2-carboxylate--hydrogen chloride (1/1), RefChem:1061795
| Molecular Formula | C15H20ClNO4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | -1.94 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1081 |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 35689-07-7 |
|---|---|
| SMILES | CC1=C(OC2=C1C=CC(=C2)OC)C(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | LPOBYVLBUSXKMA-UHFFFAOYSA-N |
Product Overview
RefChem:1061795 (CAS 35689-07-7), with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol. IUPAC: 2-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1061795
Property Insights of RefChem:1061795
The XLogP value of -1.94 indicates that RefChem:1061795 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.1 Ų, RefChem:1061795 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061795 has 1 hydrogen bond donor(s) and 5 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 RefChem:1061795?
The CAS number of RefChem:1061795 is 35689-07-7.
What is the molecular formula of RefChem:1061795?
The molecular formula of RefChem:1061795 is C15H20ClNO4.
What is the molecular weight of RefChem:1061795?
The molecular weight of RefChem:1061795 is 313.11 g/mol.
Where can I buy RefChem:1061795?
You can request a quote for RefChem:1061795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.