CAS RN: 30633-94-4
N-(4-Methoxy-2-hydroxybenzylidene)-4-butylaniline
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-135420
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
30633-94-4 / 2-[(4-butylphenyl)iminomethyl]-5-methoxyphenol
Basic Information
CAS
30633-94-4
Multi CAS
No
Molecular Formula
C18H21NO2
Molecular Weight
283.400000
Exact Mass
283.157229
InChI
InChI=1S/C18H21NO2/c1-3-4-5-14-6-9-16(10-7-14)19-13-15-8-11-17(21-2)12-18(15)20/h6-13,20H,3-5H2,1-2H3
InChIKey
DFUYRNLWIOXVQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.97
TPSA
41.82
LogP / Solubility
WLOGP
4.49
MLOGP
3.96
XLogP3
4.7
Consensus LogP
4.38
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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