CAS RN: 2097713-63-6
(S)-1-(3-fluoro-4-nitrophenyl)ethanol
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.20250503 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-099567
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 | Shenzhen | Inquiry |
2097713-63-6 / (1S)-1-(3-fluoro-4-nitrophenyl)ethanol
Basic Information
CAS
2097713-63-6
Multi CAS
No
Molecular Formula
C8H8FNO3
Molecular Weight
185.150000
Exact Mass
185.048821
SMILES
C[C@@H](C1=CC(=C(C=C1)[N+](=O)[O-])F)O
InChI
InChI=1S/C8H8FNO3/c1-5(11)6-2-3-8(10(12)13)7(9)4-6/h2-5,11H,1H3/t5-/m0/s1
InChIKey
BBJICPBIVRCRDH-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.69
TPSA
63.37
LogP / Solubility
WLOGP
1.79
MLOGP
1.57
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.58
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
2
Customers Also Viewed
-
Sodium 3-methylpyridine-2-sulfinate
- CAS RN: 2097773-43-6
- Product Code: starshine_CAS2097773-43-6
- Purity/Analytical method: >99.0%
-
-
7’-Amino-5,5-dimethylspiro[[1,3]dioxane-2,3’-indolin]-2’-one
- CAS RN: 2097800-23-0
- Product Code: SSC-099574
-
-
3-Methoxy-4-[(6-methyl-3-pyridyl)methoxy]aniline
- CAS RN: 2097800-25-2
- Product Code: SSC-099576
-
![CAS 2097800-23-0 7’-Amino-5,5-dimethylspiro[[1,3]dioxane-2,3’-indolin]-2’-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097800-23-0.png)
![CAS 2097800-24-1 1-[4-Fluoro-2-(1-piperidyl)phenyl]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097800-24-1.png)
![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)
