CAS RN: 712-79-8
2-(difluoromethoxy)naphthalene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS712-79-8
- Purity/Analytical Methods: >99.0%
712-79-8 / 2-(difluoromethoxy)naphthalene
Basic Information
CAS
712-79-8
Multi CAS
No
Molecular Formula
C11F2H8O
Molecular Weight
194.180000
Exact Mass
194.054321
InChI
InChI=1S/C11H8F2O/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKey
PHRDBYLNQKVKBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.58
TPSA
9.23
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
4.4
Consensus LogP
3.62
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
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
-
2-(4-DIMETHYLAMINOPHENYL)THIAZOLIDINE
- CAS RN: 712-80-1
- Product Code: starshine_CAS712-80-1
- Purity/Analytical method: >99.0%
-
-
-
-
-
