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CAS 1247521-37-4 1H-Pyrrole-1-propanamide, 2,5-dihydro-2,5-dioxo-N-propyl- molecular structure lightbox
CAS RN: 1247521-37-4

1H-Pyrrole-1-propanamide, 2,5-dihydro-2,5-dioxo-N-propyl-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 100mg In stock Shanghai Inquiry
Batchno.20260528 1g In stock Shanghai Inquiry
Batchno.20250604 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1247521-37-4
  • Purity/Analytical Methods: >99.0%
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1247521-37-4 / 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide

Standard CAS: 1247521-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247521-37-4
Multi CAS
No
Molecular Formula
C10H14N2O3
Molecular Weight
210.230000
Exact Mass
210.100442
SMILES
CCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C10H14N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h3-4H,2,5-7H2,1H3,(H,11,13)
InChIKey
OLHOMIBJLGPOAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.78
TPSA
66.48

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.15
XLogP3
0.7
Consensus LogP
0.13
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-4.12

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

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