CAS RN: 349129-65-3

4-Fluoro-N-propylbenzamide

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Batchno.20250220 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS349129-65-3
  • Purity/Analytical Methods: >99.0%
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349129-65-3 / 4-fluoro-N-propylbenzamide

Standard CAS: 349129-65-3 Multi CAS: No

Basic Information

CAS
349129-65-3
Multi CAS
No
Molecular Formula
C10FH12NO
Molecular Weight
181.210000
Exact Mass
181.090292
InChI
InChI=1S/C10H12FNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey
JKUGHIBZJGKKTQ-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
1
H-bond donors
1
Molar refractivity
49.02
TPSA
29.1

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.43

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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