[email protected]
CAS 105924-64-9 3,3,3-TRIFLUORO-1-(PHENYLSULFONYL)-1-PRO PENE molecular structure lightbox
CAS RN: 105924-64-9

3,3,3-TRIFLUORO-1-(PHENYLSULFONYL)-1-PRO PENE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS105924-64-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

105924-64-9 / 3,3,3-trifluoroprop-1-enylsulfonylbenzene

3,3,3-trifluoro-1-(phenylsulphonyl)prop-1-ene | DTXSID40380737 | RefChem:269971

Standard CAS: 105924-64-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105924-64-9
Multi CAS
Yes
Molecular Formula
C9H7F3O2S
Molecular Weight
236.210000
Exact Mass
236.011885
SMILES
C1=CC=C(C=C1)S(=O)(=O)C=CC(F)(F)F
InChI
InChI=1S/C9H7F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey
MXCAYGIFNXCLMK-VOTSOKGWSA-N
Synonyms
3,3,3-trifluoro-1-(phenylsulphonyl)prop-1-ene DTXSID40380737 RefChem:269971 DTXCID20331762 3,3,3-trifluoroprop-1-enylsulfonylbenzene

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.82
TPSA
34.14

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.36

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us