CAS RN: 163634-05-7
Evofolin C
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251205 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS163634-05-7
- Purity/Analytical Methods: >99.0%
163634-05-7 / (E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
Basic Information
CAS
163634-05-7
Multi CAS
No
Molecular Formula
C14H18O2
Molecular Weight
218.290000
Exact Mass
218.130680
SMILES
CC(=CCOC1=CC=C(C=C1)/C=C/CO)C
InChI
InChI=1S/C14H18O2/c1-12(2)9-11-16-14-7-5-13(6-8-14)4-3-10-15/h3-9,15H,10-11H2,1-2H3/b4-3+
InChIKey
ROCWIPIJKMWFFA-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.49
TPSA
29.46
LogP / Solubility
WLOGP
3.04
MLOGP
2.67
XLogP3
3.1
Consensus LogP
2.94
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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