![CAS 2097800-25-2 3-Methoxy-4-[(6-methyl-3-pyridyl)methoxy]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097800-25-2.png)
CAS RN: 2097800-25-2
3-Methoxy-4-[(6-methyl-3-pyridyl)methoxy]aniline
- Product code: SSC-099576
Verified Factory Data
Supply Overview & Packaging Options
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, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2097800-25-2 / 3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]aniline
Basic Information
CAS
2097800-25-2
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
SMILES
CC1=NC=C(C=C1)COC2=C(C=C(C=C2)N)OC
InChI
InChI=1S/C14H16N2O2/c1-10-3-4-11(8-16-10)9-18-13-6-5-12(15)7-14(13)17-2/h3-8H,9,15H2,1-2H3
InChIKey
VFSAEEHFARVNQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.71
TPSA
57.37
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2
Consensus LogP
2.27
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly 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)
-2.39
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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