[email protected]
CAS 119-41-5 efloxate molecular structure lightbox
CAS RN: 119-41-5

efloxate

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250517 10mg In stock Shanghai Inquiry
Batchno.20250721 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260620 10mg Out of stock Inquiry
  • Product code: starshine_CAS119-41-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

119-41-5 / ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate

Efloxate | Efloxato | Efloxatum

Standard CAS: 119-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119-41-5
Multi CAS
No
Molecular Formula
C19H16O5
Molecular Weight
324.300000
Exact Mass
324.099774
SMILES
CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
ZVXBAHLOGZCFTP-UHFFFAOYSA-N
Synonyms
Efloxate Efloxato Efloxatum ethyl 2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)acetate NSC-758891

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
90.05
TPSA
65.74

LogP / Solubility

WLOGP
3.4
MLOGP
3.01
XLogP3
4.2
Consensus LogP
3.54
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us