CAS RN: 2108176-83-4
4-(Dibenzylamino)-3-fluoro-2-methyl-2-butanol
- Product code: SSC-100511
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Beijing | Inquiry |
2108176-83-4 / 4-(dibenzylamino)-3-fluoro-2-methylbutan-2-ol
Basic Information
CAS
2108176-83-4
Multi CAS
No
Molecular Formula
C19H24FNO
Molecular Weight
301.400000
Exact Mass
301.184193
SMILES
CC(C)(C(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)F)O
InChI
InChI=1S/C19H24FNO/c1-19(2,22)18(20)15-21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,22H,13-15H2,1-2H3
InChIKey
XGKNZPOYMFGAHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
88.19
TPSA
23.47
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
3.6
Consensus LogP
3.58
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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