Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1823408-55-4 / 4-amino-3-fluoro-2-methylbutan-2-ol
Basic Information
CAS
1823408-55-4
Multi CAS
No
Molecular Formula
C5H12FNO
Molecular Weight
121.150000
Exact Mass
121.090292
SMILES
CC(C)(C(CN)F)O
InChI
InChI=1S/C5H12FNO/c1-5(2,8)4(6)3-7/h4,8H,3,7H2,1-2H3
InChIKey
QNFKDKWENVIYDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.25
TPSA
46.25
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
-0.4
Consensus LogP
-0.1
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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)
-3.42
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
-
![CAS 1823417-67-9 Methyl 2-(((Benzyloxy)Carbonyl)Amino)-7-Oxo-6-Azaspiro[3.4]Octane-8-Carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Methyl 2-(((Benzyloxy)Carbonyl)Amino)-7-Oxo-6-Azaspiro[3.4]Octane-8-Carboxylate
- CAS RN: 1823417-67-9
- Product Code: starshine_CAS1823417-67-9
- Purity/Analytical method: >99.0%
-
5-Benzyl 2-Tert-Butyl 8-(Hydroxymethyl)-2,5-Diazaspiro[3.5]Nonane-2,5-Dicarboxylate
- CAS RN: 1823417-97-5
- Product Code: starshine_CAS1823417-97-5
- Purity/Analytical method: >99.0%
-
methyl 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylate
- CAS RN: 1823420-32-1
- Product Code: SSC-083701
-
4-Bromo-5-fluoroquinoline
- CAS RN: 1823422-36-1
- Product Code: starshine_CAS1823422-36-1
- Purity/Analytical method: >99.0%
-
8-((triMethylsilyl)ethynyl)isoquinoline
- CAS RN: 1823440-48-7
- Product Code: starshine_CAS1823440-48-7
- Purity/Analytical method: >99.0%
-
5-Bromo-8-methoxy-imidazo[1,2-a]pyridine
- CAS RN: 1823456-51-4
- Product Code: starshine_CAS1823456-51-4
- Purity/Analytical method: >99.0%
![CAS 1823417-67-9 Methyl 2-(((Benzyloxy)Carbonyl)Amino)-7-Oxo-6-Azaspiro[3.4]Octane-8-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823417-67-9.gif)
![CAS 1823417-97-5 5-Benzyl 2-Tert-Butyl 8-(Hydroxymethyl)-2,5-Diazaspiro[3.5]Nonane-2,5-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823417-97-5.gif)
![CAS 1823420-32-1 methyl 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823420-32-1.gif)
![CAS 1823456-51-4 5-Bromo-8-methoxy-imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823456-51-4.gif)