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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
446-18-4 / 4-fluoro-2-methyl-5-nitroaniline
Basic Information
CAS
446-18-4
Multi CAS
Yes
Molecular Formula
C7FH7N2O2
Molecular Weight
170.140000
Exact Mass
170.049156
InChI
InChI=1S/C7H7FN2O2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,9H2,1H3
InChIKey
LHIUCVZCVMTRNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.2
TPSA
69.16
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 446-20-8 4-AMino-2-fluoro-5-nitroanisole[5-Fluoro-4-Methoxy-2-nitroaniline] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-AMino-2-fluoro-5-nitroanisole[5-Fluoro-4-Methoxy-2-nitroaniline]
- CAS RN: 446-20-8
- Product Code: SSC-152623
-
-
-
2-FLUOROETHYLBENZENE
- CAS RN: 446-49-1
- Product Code: starshine_CAS446-49-1
- Purity/Analytical method: >99.0%
-
2,3-DIFLUOROBENZYL CHLORIDE
- CAS RN: 446-57-1
- Product Code: starshine_CAS446-57-1
- Purity/Analytical method: >99.0%
-
2-Fluoro-6-(hydroxymethyl)phenol
- CAS RN: 446-58-2
- Product Code: starshine_CAS446-58-2
- Purity/Analytical method: >99.0%
![CAS 446-20-8 4-AMino-2-fluoro-5-nitroanisole[5-Fluoro-4-Methoxy-2-nitroaniline] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/446-20-8.gif)
