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CAS 121839-78-9 (-)-Ibuprofenamide molecular structure lightbox
CAS RN: 121839-78-9

(-)-Ibuprofenamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS121839-78-9
  • Purity/Analytical Methods: >99.0%
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121839-78-9 / (2R)-2-[4-(2-methylpropyl)phenyl]propanamide

Standard CAS: 121839-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121839-78-9
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)N
InChI
InChI=1S/C13H19NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)/t10-/m1/s1
InChIKey
REUQKCDCQVNKLW-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.59
TPSA
43.09

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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