![CAS 1970100-27-6 5-[(4-methoxyphenyl)methoxy]-2-nitro-aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1970100-27-6.gif)
CAS RN: 1970100-27-6
5-[(4-methoxyphenyl)methoxy]-2-nitro-aniline
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.20260529 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-092944
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 | Beijing | Inquiry |
1970100-27-6 / 5-[(4-methoxyphenyl)methoxy]-2-nitroaniline
Basic Information
CAS
1970100-27-6
Multi CAS
No
Molecular Formula
C14H14N2O4
Molecular Weight
274.270000
Exact Mass
274.095357
SMILES
COC1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C14H14N2O4/c1-19-11-4-2-10(3-5-11)9-20-12-6-7-14(16(17)18)13(15)8-12/h2-8H,9,15H2,1H3
InChIKey
GXSMLGVMOIFNHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.83
TPSA
87.62
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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