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CAS 1233495-04-9 Ac-D-Glu(OtBu)-OH molecular structure lightbox
CAS RN: 1233495-04-9

Ac-D-Glu(OtBu)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 25g Out of stock 15 business days Inquiry
  • Product code: SSC-027012
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1233495-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1233495-04-9 / (2R)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

Standard CAS: 1233495-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1233495-04-9
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/t8-/m1/s1
InChIKey
FALCCLKESWGSNI-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.32
TPSA
92.7

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
-0.5
Consensus LogP
0.27
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-3.72

Drug-likeness / Medicinal Chemistry

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

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