CAS RN: 1233521-09-9
3-(difluoromethoxy)-N-methylaniline
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.20260118 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1233521-09-9
- Purity/Analytical Methods: >99.0%
1233521-09-9 / 3-(difluoromethoxy)-N-methylaniline
Basic Information
CAS
1233521-09-9
Multi CAS
No
Molecular Formula
C8H9F2NO
Molecular Weight
173.160000
Exact Mass
173.065220
SMILES
CNC1=CC(=CC=C1)OC(F)F
InChI
InChI=1S/C8H9F2NO/c1-11-6-3-2-4-7(5-6)12-8(9)10/h2-5,8,11H,1H3
InChIKey
OHFUZDGTOMMUDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.62
TPSA
21.26
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.8
Consensus LogP
2.39
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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
1.5
Customers Also Viewed
-
-
1-Ethyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1233525-88-6
- Product Code: SSC-027055
-
1-(Tetrahydro-1,1-dioxido-3-thienyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1233526-31-2
- Product Code: SSC-027056
-
1-(cyclobutylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1233526-47-0
- Product Code: SSC-027057
-
1-cyclopentyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1233526-60-7
- Product Code: SSC-027058
-
2-bromo-4-tert-butyl-5-nitrophenyl methyl carbonate
- CAS RN: 1233530-92-1
- Product Code: SSC-027059
![CAS 1233525-88-6 1-Ethyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233525-88-6.gif)
