CAS RN: 1609545-83-6
(R)-4-(Dibenzylamino)-3-fluoro-2-methyl-2-butanol
- Product code: SSC-068712
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: 1g, 5g, 10g, 0.1g, 0.25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
1609545-83-6 / (3R)-4-(dibenzylamino)-3-fluoro-2-methylbutan-2-ol
Basic Information
CAS
1609545-83-6
Multi CAS
No
Molecular Formula
C19H24FNO
Molecular Weight
301.400000
Exact Mass
301.184193
SMILES
CC(C)([C@@H](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/t18-/m1/s1
InChIKey
XGKNZPOYMFGAHD-GOSISDBHSA-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
Customers Also Viewed
-
(1R,2R)-2-PCCA(hydrochloride)
- CAS RN: 1609563-71-4
- Product Code: starshine_CAS1609563-71-4
- Purity/Analytical method: >99.0%
-
DY 268
- CAS RN: 1609564-75-1
- Product Code: starshine_CAS1609564-75-1
- Purity/Analytical method: >99.0%
-
6-BroMo-3-iodo-iMidazo[1,2-b]pyridazine
- CAS RN: 1609565-17-4
- Product Code: starshine_CAS1609565-17-4
- Purity/Analytical method: >99.0%
-
4,4′-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid
- CAS RN: 1609575-40-7
- Product Code: starshine_CAS1609575-40-7
- Purity/Analytical method: >99.0%
-
-
MPS1-IN-3
- CAS RN: 1609584-72-6
- Product Code: starshine_CAS1609584-72-6
- Purity/Analytical method: >99.0%
![CAS 1609565-17-4 6-BroMo-3-iodo-iMidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609565-17-4.gif)
![CAS 1609581-45-4 3-BROMO-2-METHYLIMIDAZO[1,2-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609581-45-4.gif)
