2-Propoxyethyl nedicarboxylate
TL;DR: 2-Propoxyethyl nedicarboxylate (CAS 347326-91-4) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: 2-propoxyethyl nedicarboxylate, BAS 04378444, A2557/0108916, 2-propoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-propoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.353 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 916.26843 |
Chemical Identifiers
| CAS Number | 347326-91-4 |
|---|---|
| SMILES | CCCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C |
Product Overview
2-Propoxyethyl nedicarboxylate (CAS 347326-91-4), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: 2-propoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of 2-Propoxyethyl nedicarboxylate
Property Insights of 2-Propoxyethyl nedicarboxylate
The XLogP value of 3.353 indicates that 2-Propoxyethyl nedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propoxyethyl nedicarboxylate. Following Lipinski's Rule of Five, 2-Propoxyethyl nedicarboxylate 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 2-Propoxyethyl nedicarboxylate?
The CAS number of 2-Propoxyethyl nedicarboxylate is 347326-91-4.
What is the molecular formula of 2-Propoxyethyl nedicarboxylate?
The molecular formula of 2-Propoxyethyl nedicarboxylate is C23H27NO6.
What is the molecular weight of 2-Propoxyethyl nedicarboxylate?
The molecular weight of 2-Propoxyethyl nedicarboxylate is 413.18 g/mol.
Where can I buy 2-Propoxyethyl nedicarboxylate?
You can request a quote for 2-Propoxyethyl nedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propoxyethyl nedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propoxyethyl nedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.