CAS RN: 114872-80-9
(R)-N-Acetyl-5-Fluoro-Trp-OMe
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.20250218 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-014581
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
114872-80-9 / methyl (2R)-2-acetamido-3-(5-fluoro-1H-indol-3-yl)propanoate
SY005665 | DB-060644 | methyl 2-acetamido-3-(5-fluoro-1H-indol-3-yl)propanoate
Basic Information
CAS
114872-80-9
Multi CAS
Yes
Molecular Formula
C14H15FN2O3
Molecular Weight
278.280000
Exact Mass
278.106671
SMILES
CC(=O)N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)OC
InChI
InChI=1S/C14H15FN2O3/c1-8(18)17-13(14(19)20-2)5-9-7-16-12-4-3-10(15)6-11(9)12/h3-4,6-7,13,16H,5H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKey
RSYLOHPJSHEYDP-CYBMUJFWSA-N
Synonyms
SY005665
DB-060644
methyl 2-acetamido-3-(5-fluoro-1H-indol-3-yl)propanoate
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.58
TPSA
71.19
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
2.2
Consensus LogP
1.69
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
