[email protected]
CAS 10011-39-9 2-FLUOROPROPENOIC ACID BUTYL ESTER molecular structure lightbox
CAS RN: 10011-39-9

2-FLUOROPROPENOIC ACID BUTYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS10011-39-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

10011-39-9 / butyl 2-fluoroprop-2-enoate

10011-39-9 | Butyl 2-fluoroprop-2-enoate | DTXSID50448695

Standard CAS: 10011-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10011-39-9
Multi CAS
No
Molecular Formula
C7H11FO2
Molecular Weight
146.160000
Exact Mass
146.074308
SMILES
CCCCOC(=O)C(=C)F
InChI
InChI=1S/C7H11FO2/c1-3-4-5-10-7(9)6(2)8/h2-5H2,1H3
InChIKey
NMGALRPUJDUYEO-UHFFFAOYSA-N
Synonyms
10011-39-9 Butyl 2-fluoroprop-2-enoate DTXSID50448695 RefChem:330983 DTXCID90399516

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
36.11
TPSA
26.3

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
2.8
Consensus LogP
2.07
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us