RefChem:1073630
TL;DR: RefChem:1073630 (CAS 84523-14-8) is a chemical compound with molecular formula C17H20FNO6 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-ethyl-5-(4-fluorophenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane
Also Known As: 3-Ethyl-5-(4-fluorophenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane (Z)-2-butenedioate (1:1), 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 3-ethyl-5-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-ethyl-5-(4-fluorophenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane, RefChem:1073630
| Molecular Formula | C17H20FNO6 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 1.4412 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.12747 |
| Heavy Atoms | 25 |
| Complexity | 631.0431 |
Chemical Identifiers
| CAS Number | 84523-14-8 |
|---|---|
| SMILES | CCN1CC2COC(C1)(O2)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073630 (CAS 84523-14-8), with molecular formula C17H20FNO6 and molecular weight 353.13 g/mol. IUPAC: (E)-but-2-enedioic acid;3-ethyl-5-(4-fluorophenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane.
Chemical Property Profile of RefChem:1073630
Property Insights of RefChem:1073630
The XLogP value of 1.4412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073630. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073630. Following Lipinski's Rule of Five, RefChem:1073630 has 2 hydrogen bond donor(s) and 5 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:1073630?
The CAS number of RefChem:1073630 is 84523-14-8.
What is the molecular formula of RefChem:1073630?
The molecular formula of RefChem:1073630 is C17H20FNO6.
What is the molecular weight of RefChem:1073630?
The molecular weight of RefChem:1073630 is 353.13 g/mol.
Where can I buy RefChem:1073630?
You can request a quote for RefChem:1073630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073630?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.