RefChem:276880
TL;DR: RefChem:276880 (CAS 56879-60-8) 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.
(3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl-dimethylazanium chloride
Also Known As: 2-Dimethylaminomethyl-3-carboethoxy-5-methoxybenzofuran hydrochloride, 3-Benzofurancarboxylic acid, 2-((dimethylamino)methyl)-5-methoxy-, ethyl ester, hydrochloride, (3-Ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl-dimethylazaniumchloride, (3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl-dimethylazanium chloride, RefChem:276880
| Molecular Formula | C15H20ClNO4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | -1.73 |
| 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 | 56879-60-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+](C)C.[Cl-] |
| InChIKey | JCVBHSLQGXSHRC-UHFFFAOYSA-N |
Product Overview
RefChem:276880 (CAS 56879-60-8), with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol. IUPAC: (3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:276880
Property Insights of RefChem:276880
The XLogP value of -1.73 indicates that RefChem:276880 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:276880 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276880 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:276880?
The CAS number of RefChem:276880 is 56879-60-8.
What is the molecular formula of RefChem:276880?
The molecular formula of RefChem:276880 is C15H20ClNO4.
What is the molecular weight of RefChem:276880?
The molecular weight of RefChem:276880 is 313.11 g/mol.
Where can I buy RefChem:276880?
You can request a quote for RefChem:276880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276880?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.