RefChem:345912
TL;DR: RefChem:345912 (CAS 35685-97-3) is a chemical compound with molecular formula C19H22ClNO5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ium-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate chloride
Also Known As: Furo(2,3-g)-1,4-benzodioxin-7-carboxylic acid, 8-methyl-, 2-piperidinoethyl ester, hydrochloride, 2-Piperidin-1-ium-1-ylethyl8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate chloride, 2-piperidin-1-ium-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate chloride, FURO(2,3-g)-1,4-BENZODIOXIN-7-CARBOXYLIC ACID, 8-METHYL-, 2-PIPERIDINOETHYL ESTE, RefChem:345912
| Molecular Formula | C19H22ClNO5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | -0.79 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.11865 |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 35685-97-3 |
|---|---|
| SMILES | CC1=C(OC2=CC3=C(C=C12)OC=CO3)C(=O)OCC[NH+]4CCCCC4.[Cl-] |
| InChIKey | PEADGMIQEUCUMF-UHFFFAOYSA-N |
Product Overview
RefChem:345912 (CAS 35685-97-3), with molecular formula C19H22ClNO5 and molecular weight 379.12 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate chloride.
Chemical Property Profile of RefChem:345912
Property Insights of RefChem:345912
The XLogP value of -0.79 indicates that RefChem:345912 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:345912. Following Lipinski's Rule of Five, RefChem:345912 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:345912?
The CAS number of RefChem:345912 is 35685-97-3.
What is the molecular formula of RefChem:345912?
The molecular formula of RefChem:345912 is C19H22ClNO5.
What is the molecular weight of RefChem:345912?
The molecular weight of RefChem:345912 is 379.12 g/mol.
Where can I buy RefChem:345912?
You can request a quote for RefChem:345912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345912?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.