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CAS 118247-88-4 Z-BETA-GLU(OTBU)-OH molecular structure lightbox
CAS RN: 118247-88-4

Z-BETA-GLU(OTBU)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 1g Out of stock 15 business days Inquiry
  • Product code: SSC-018052
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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 118247-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

118247-88-4 / (3S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

Cbz-L-beta-homoAsp(otBu)-OH | 3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid | (3S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

Standard CAS: 118247-88-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118247-88-4
Multi CAS
Yes
Molecular Formula
C17H23NO6
Molecular Weight
337.400000
Exact Mass
337.152537
SMILES
CC(C)(C)OC(=O)C[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-15(21)10-13(9-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKey
ZWLHJIDBOFBLGR-ZDUSSCGKSA-N
Synonyms
Cbz-L-beta-homoAsp(otBu)-OH 3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid (3S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid SCHEMBL25301720 Cbz-beta-HoAsp(OtBu)-OH.DCHA

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
86.27
TPSA
101.93

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
1.8
Consensus LogP
2.17
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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