RefChem:1088763
TL;DR: RefChem:1088763 (CAS 67465-33-2) is a chemical compound with molecular formula C16H22ClNO6 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride
Also Known As: Diethyl 2-aminoethyl-(3,4-methylenedioxyphenyl)malonate hydrochloride, Malonic acid, (2-aminoethyl)(3,4-methylenedioxyphenyl)-, diethyl ester, hydrochloride, [3-(1,3-Benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azaniumchloride, [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride, Propanedioic acid, (2-aminoethyl)-1,3-benzodioxol-5-yl-, diethyl ester, hydrochloride
| Molecular Formula | C16H22ClNO6 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | -2.58 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 359.11356 |
| Heavy Atoms | 24 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 67465-33-2 |
|---|---|
| SMILES | CCOC(=O)C(CC[NH3+])(C1=CC2=C(C=C1)OCO2)C(=O)OCC.[Cl-] |
| InChIKey | JBDUAFBJQGYHFE-UHFFFAOYSA-N |
Product Overview
RefChem:1088763 (CAS 67465-33-2), with molecular formula C16H22ClNO6 and molecular weight 359.11 g/mol. IUPAC: [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride.
Chemical Property Profile of RefChem:1088763
Property Insights of RefChem:1088763
The XLogP value of -2.58 indicates that RefChem:1088763 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1088763. Following Lipinski's Rule of Five, RefChem:1088763 has 1 hydrogen bond donor(s) and 7 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:1088763?
The CAS number of RefChem:1088763 is 67465-33-2.
What is the molecular formula of RefChem:1088763?
The molecular formula of RefChem:1088763 is C16H22ClNO6.
What is the molecular weight of RefChem:1088763?
The molecular weight of RefChem:1088763 is 359.11 g/mol.
Where can I buy RefChem:1088763?
You can request a quote for RefChem:1088763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088763?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.