[email protected]
CAS 1094440-60-4 5-(2-Fluoro-4-methylphenyl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 1094440-60-4

5-(2-Fluoro-4-methylphenyl)thiophene-2-carbaldehyde

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINF913856
GET A QUOTE

1094440-60-4 / 5-(2-fluoro-4-methylphenyl)thiophene-2-carbaldehyde

5-(2-fluoro-4-methylphenyl)thiophene-2-carbaldehyde | EN300-1585970

Standard CAS: 1094440-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094440-60-4
Multi CAS
No
Molecular Formula
C12H9FOS
Molecular Weight
220.260000
Exact Mass
220.035814
SMILES
CC1=CC(=C(C=C1)C2=CC=C(S2)C=O)F
InChI
InChI=1S/C12H9FOS/c1-8-2-4-10(11(13)6-8)12-5-3-9(7-14)15-12/h2-7H,1H3
InChIKey
HOJODAQWPCCTAV-UHFFFAOYSA-N
Synonyms
5-(2-fluoro-4-methylphenyl)thiophene-2-carbaldehyde EN300-1585970

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.84
TPSA
17.07

LogP / Solubility

WLOGP
3.68
MLOGP
3.24
XLogP3
3.5
Consensus LogP
3.47
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us