CAS RN: 149288-44-8
4-(4-FLUORO-PHENOXYMETHYL)-BENZOIC 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.20260302 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS149288-44-8
- Purity/Analytical Methods: >99.0%
149288-44-8 / 4-[(4-fluorophenoxy)methyl]benzoic acid
Basic Information
CAS
149288-44-8
Multi CAS
No
Molecular Formula
C14H11FO3
Molecular Weight
246.230000
Exact Mass
246.069222
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C14H11FO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
BXDPRCJDARSTDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.13
TPSA
46.53
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 149289-29-2 1-[2-amino-1-(4-hydroxyphenyl)ethyl]cyclohexanol molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[2-amino-1-(4-hydroxyphenyl)ethyl]cyclohexanol
- CAS RN: 149289-29-2
- Product Code: starshine_CAS149289-29-2
- Purity/Analytical method: >99.0%
-
-
7H-Purine (9CI)
- CAS RN: 149297-77-8
- Product Code: starshine_CAS149297-77-8
- Purity/Analytical method: >99.0%
-
-
10-METHYL-9-(PHENOXYCARBONYL)ACRIDINIUM FLUOROSULFONATE
- CAS RN: 149300-54-9
- Product Code: starshine_CAS149300-54-9
- Purity/Analytical method: >99.0%
-
AACOCF3
- CAS RN: 149301-79-1
- Product Code: starshine_CAS149301-79-1
- Purity/Analytical method: >99.0%
![CAS 149289-29-2 1-[2-amino-1-(4-hydroxyphenyl)ethyl]cyclohexanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149289-29-2.gif)
