CAS RN: 6379-72-2
4-trans-propenylveratrole
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS6379-72-2
- Purity/Analytical Methods: >99.0%
6379-72-2 / 1,2-dimethoxy-4-prop-1-enylbenzene
Basic Information
CAS
6379-72-2
Multi CAS
Yes
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
InChIKey
NNWHUJCUHAELCL-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
54.25
TPSA
18.46
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
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)
-1.86
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
-
-
-
ISOEUGENYLMETHYLETHER
- CAS RN: 6380-24-1
- Product Code: starshine_CAS6380-24-1
- Purity/Analytical method: >99.0%
-
CARVACRYL ACETATE
- CAS RN: 6380-28-5
- Product Code: starshine_CAS6380-28-5
- Purity/Analytical method: >99.0%
-
POTASSIUM CARBONATE, SESQUIHYDRATE
- CAS RN: 6381-79-9
- Product Code: starshine_CAS6381-79-9
- Purity/Analytical method: >99.0%
-
Ornithine methyl ester
- CAS RN: 6384/10/7
- Product Code: starshine_CAS6384-10-7
- Purity/Analytical method: >99.0%
