CAS RN: 214072-73-8
(2-Benzyloxy-5-methoxy-phenyl)-methanol
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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 214072-73-8
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
≥95% |
5
In Stock
|
Hong Kong |
Inquiry |
| 0.25g |
≥95% |
5
In Stock
|
Shenzhen |
Inquiry |
| 1g |
≥95% |
5
In Stock
|
Shenzhen |
Inquiry |
214072-73-8 / (5-methoxy-2-phenylmethoxyphenyl)methanol
Standard CAS: 214072-73-8
Multi CAS: No
Basic Information
CAS
214072-73-8
Multi CAS
No
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
SMILES
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)CO
InChI
InChI=1S/C15H16O3/c1-17-14-7-8-15(13(9-14)10-16)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
InChIKey
CFAWFGBQSKCBJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.69
TPSA
38.69
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5