[email protected]
CAS 59303-13-8 2-Methyl-5-propionylthiophene molecular structure lightbox
CAS RN: 59303-13-8

2-Methyl-5-propionylthiophene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS59303-13-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

59303-13-8 / 1-(5-methylthiophen-2-yl)propan-1-one

Standard CAS: 59303-13-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59303-13-8
Multi CAS
Yes
Molecular Formula
C8H10OS
Molecular Weight
154.230000
Exact Mass
154.045236
InChI
InChI=1S/C8H10OS/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
InChIKey
ROPOMQPSWIOWSN-UHFFFAOYSA-N

Physical Properties

Melting Point
31 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.68
TPSA
17.07

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.49
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.78

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us