CAS RN: 1212981-84-4
(2S)-2-AMINO-2-(5-FLUORO-3-METHOXYPHENYL)ETHAN-1-OL
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.20251119 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-023163
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1212981-84-4 / (2S)-2-amino-2-(3-fluoro-5-methoxyphenyl)ethanol
2-amino-2-(3-fluoro-5-methoxyphenyl)ethan-1-ol | SCHEMBL18765750 | AKOS006321974
Basic Information
CAS
1212981-84-4
Multi CAS
Yes
Molecular Formula
C9H12FNO2
Molecular Weight
185.200000
Exact Mass
185.085207
SMILES
COC1=CC(=CC(=C1)[C@@H](CO)N)F
InChI
InChI=1S/C9H12FNO2/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKey
NAZAQFAQNOECEK-SECBINFHSA-N
Synonyms
2-amino-2-(3-fluoro-5-methoxyphenyl)ethan-1-ol
SCHEMBL18765750
AKOS006321974
2-amino-2-(3-fluoro-5-methoxy-phenyl)ethanol
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.97
TPSA
55.48
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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