CAS RN: 114673-69-7
(2S)-2-AMINO-2-(3,4-DIMETHOXYPHENYL)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.20251112 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-014373
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
114673-69-7 / (2S)-2-amino-2-(3,4-dimethoxyphenyl)ethanol
(S)-2-Amino-2-(3,4-dimethoxyphenyl)ethanol | (2S)-2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHAN-1-OL | MFCD09253690
Basic Information
CAS
114673-69-7
Multi CAS
Yes
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
SMILES
COC1=C(C=C(C=C1)[C@@H](CO)N)OC
InChI
InChI=1S/C10H15NO3/c1-13-9-4-3-7(8(11)6-12)5-10(9)14-2/h3-5,8,12H,6,11H2,1-2H3/t8-/m1/s1
InChIKey
JVZVUXBFNRPOAY-MRVPVSSYSA-N
Synonyms
(S)-2-Amino-2-(3,4-dimethoxyphenyl)ethanol
(2S)-2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHAN-1-OL
MFCD09253690
(2S)-2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHANOL
SCHEMBL9330888
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.56
TPSA
64.71
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
-0.3
Consensus LogP
0.34
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.43
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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