CAS RN: 155697-42-0
3-BenzyloxycinnaMyl alcohol
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.20251009 | 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS155697-42-0
- Purity/Analytical Methods: >99.0%
155697-42-0 / (E)-3-(3-phenylmethoxyphenyl)prop-2-en-1-ol
Basic Information
CAS
155697-42-0
Multi CAS
No
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/CO
InChI
InChI=1S/C16H16O2/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h1-10,12,17H,11,13H2/b9-5+
InChIKey
QQGGFBBEVHNLKT-WEVVVXLNSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.34
TPSA
29.46
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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