Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
668477-50-7 / 1-ethyl-3-phenylmethoxybenzene
Basic Information
CAS
668477-50-7
Multi CAS
No
Molecular Formula
C15H16O
Molecular Weight
212.290000
Exact Mass
212.120115
InChI
InChI=1S/C15H16O/c1-2-13-9-6-10-15(11-13)16-12-14-7-4-3-5-8-14/h3-11H,2,12H2,1H3
InChIKey
PGMBVOVVYOIMBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
66.59
TPSA
9.23
LogP / Solubility
WLOGP
3.83
MLOGP
3.37
XLogP3
4.1
Consensus LogP
3.77
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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Boronic acid, [4′-(diphenylamino)[1,1′-biphenyl]-4-yl]-
- CAS RN: 668493-36-5
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