RefChem:365409
TL;DR: RefChem:365409 (CAS 76410-23-6) is a chemical compound with molecular formula C22H28ClNO5 and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride
Also Known As: Naphtho(1,2-b)furan-3-carboxylic acid, 6-(2-hydroxy-3-(isopropylamino)propoxy)-2-methyl-, ethyl ester, monohydrochloride, [3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride, NAPHTHO(1,2-b)FURAN-3-CARBOXYLIC ACID, 6-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-2, RefChem:365409
| Molecular Formula | C22H28ClNO5 |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | -0.21 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.1656 |
| Heavy Atoms | 29 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 76410-23-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(C[NH2+]C(C)C)O)C.[Cl-] |
| InChIKey | PJYZXOZDONYNLE-UHFFFAOYSA-N |
Product Overview
RefChem:365409 (CAS 76410-23-6), with molecular formula C22H28ClNO5 and molecular weight 421.17 g/mol. IUPAC: [3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride.
Chemical Property Profile of RefChem:365409
Property Insights of RefChem:365409
The XLogP value of -0.21 indicates that RefChem:365409 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:365409. Following Lipinski's Rule of Five, RefChem:365409 has 2 hydrogen bond donor(s) and 6 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:365409?
The CAS number of RefChem:365409 is 76410-23-6.
What is the molecular formula of RefChem:365409?
The molecular formula of RefChem:365409 is C22H28ClNO5.
What is the molecular weight of RefChem:365409?
The molecular weight of RefChem:365409 is 421.17 g/mol.
Where can I buy RefChem:365409?
You can request a quote for RefChem:365409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:365409?
Yes, KEHONG BIO provides custom synthesis services for RefChem:365409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.