CAS RN: 90794-16-4
2-(4-fluorophenyl)butanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS90794-16-4
- Purity/Analytical Methods: >99.0%
90794-16-4 / 2-(4-fluorophenyl)butanoic acid
Basic Information
CAS
90794-16-4
Multi CAS
No
Molecular Formula
C10FH11O2
Molecular Weight
182.190000
Exact Mass
182.074308
InChI
InChI=1S/C10H11FO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)
InChIKey
KQKOJJNAHZCQRX-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
47.07
TPSA
37.3
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
5-chloro-N,N-diethylpentan-1-amine:hydrochloride
- CAS RN: 90796-01-3
- Product Code: SSC-203432
-
3-(3-DIMETHYLAMINO-PROPYLAMINO)-PROPIONIC ACID METHYL ESTER
- CAS RN: 90796-69-3
- Product Code: SSC-203433
-
1-Amino-3-chloronaphthalene
- CAS RN: 90799-45-4
- Product Code: starshine_CAS90799-45-4
- Purity/Analytical method: >99.0%
-
