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CAS 199929-31-2 3-hydroxy-N-p-tolylpropanamide molecular structure lightbox
CAS RN: 199929-31-2

3-hydroxy-N-p-tolylpropanamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250922 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS199929-31-2
  • Purity/Analytical Methods: >99.0%
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199929-31-2 / 3-hydroxy-N-(4-methylphenyl)propanamide

Standard CAS: 199929-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199929-31-2
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CC1=CC=C(C=C1)NC(=O)CCO
InChI
InChI=1S/C10H13NO2/c1-8-2-4-9(5-3-8)11-10(13)6-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKey
XJWWJAUSBCIWPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.51
TPSA
49.33

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
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)
-2.88

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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