RefChem:345913
TL;DR: RefChem:345913 (CAS 35685-96-2) is a chemical compound with molecular formula C16H18ClNO5 and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(8-methylfuro[2,3-g][1,4]benzodioxine-7-carbonyl)oxyethyl]azanium chloride
Also Known As: Furo(2,3-g)-1,4-benzodioxin-7-carboxylic acid, 8-methyl-, dimethylaminoethyl ester, hydrochloride, dimethyl-[2-(8-methylfuro[2,3-g][1,4]benzodioxine-7-carbonyl)oxyethyl]azanium chloride, FURO(2,3-g)-1,4-BENZODIOXIN-7-CARBOXYLIC ACID, 8-METHYL-, DIMETHYLAMINOETHYL EST, RefChem:345913
| Molecular Formula | C16H18ClNO5 |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | -1.71 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.08734 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 35685-96-2 |
|---|---|
| SMILES | CC1=C(OC2=CC3=C(C=C12)OC=CO3)C(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | DLDUVEVFHAJWSQ-UHFFFAOYSA-N |
Product Overview
RefChem:345913 (CAS 35685-96-2), with molecular formula C16H18ClNO5 and molecular weight 339.09 g/mol. IUPAC: dimethyl-[2-(8-methylfuro[2,3-g][1,4]benzodioxine-7-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:345913
Property Insights of RefChem:345913
The XLogP value of -1.71 indicates that RefChem:345913 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:345913. Following Lipinski's Rule of Five, RefChem:345913 has 1 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:345913?
The CAS number of RefChem:345913 is 35685-96-2.
What is the molecular formula of RefChem:345913?
The molecular formula of RefChem:345913 is C16H18ClNO5.
What is the molecular weight of RefChem:345913?
The molecular weight of RefChem:345913 is 339.09 g/mol.
Where can I buy RefChem:345913?
You can request a quote for RefChem:345913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345913?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.