[email protected]
CAS 117833-18-8 AC-ASP(OTBU)-OH molecular structure lightbox
CAS RN: 117833-18-8

AC-ASP(OTBU)-OH

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250715 250mg / 1g / 5g / 25g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-017658
GET A QUOTE
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: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117833-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

117833-18-8 / (2S)-2-acetamido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Ac-Asp(OtBu)-OH | (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid | MFCD00236746

Standard CAS: 117833-18-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117833-18-8
Multi CAS
Yes
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H17NO5/c1-6(12)11-7(9(14)15)5-8(13)16-10(2,3)4/h7H,5H2,1-4H3,(H,11,12)(H,14,15)/t7-/m0/s1
InChIKey
NKNPTCBHHPHSEA-ZETCQYMHSA-N
Synonyms
Ac-Asp(OtBu)-OH (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid MFCD00236746 Acetyl-L-aspartic acid beta-tert-butyl ester (2S)-2-acetamido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.7
TPSA
92.7

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
Consensus LogP
0.19
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us