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CAS 54474-50-9 2,4-DIMETHYL-3-PYRROLEPROPIONIC ACID molecular structure lightbox
CAS RN: 54474-50-9

2,4-DIMETHYL-3-PYRROLEPROPIONIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251121 1g In stock Wuhan Inquiry
Batchno.20260517 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260414 25mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20260531 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS54474-50-9
  • Purity/Analytical Methods: >99.0%
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54474-50-9 / 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid

Standard CAS: 54474-50-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54474-50-9
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
InChI
InChI=1S/C9H13NO2/c1-6-5-10-7(2)8(6)3-4-9(11)12/h5,10H,3-4H2,1-2H3,(H,11,12)
InChIKey
SAGABBLUUSFKNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
46.22
TPSA
53.09

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.57

Drug-likeness / Medicinal Chemistry

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

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