CAS RN: 2382-80-1
N-Acetyl-L-tryptophan Ethyl Ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-116060
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
2382-80-1 / ethyl (2S)-2-[formyl(methyl)amino]-3-(1H-indol-3-yl)propanoate
Basic Information
CAS
2382-80-1
Multi CAS
No
Molecular Formula
C15H18N2O3
Molecular Weight
274.310000
Exact Mass
274.131742
SMILES
CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N(C)C=O
InChI
InChI=1S/C15H18N2O3/c1-3-20-15(19)14(17(2)10-18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9-10,14,16H,3,8H2,1-2H3/t14-/m0/s1
InChIKey
LYXGYFZZVMODTB-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.25
TPSA
62.4
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
2.4
Consensus LogP
1.89
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
