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CAS 128135-39-7 Boc-beta-homoaspartic acid(OTBu) molecular structure lightbox
CAS RN: 128135-39-7

Boc-beta-homoaspartic acid(OTBu)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-035478
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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, 5g
  • Available purity: ＞97%
  • 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 128135-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

128135-39-7 / (3R)-5-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Standard CAS: 128135-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128135-39-7
Multi CAS
No
Molecular Formula
C14H25NO6
Molecular Weight
303.350000
Exact Mass
303.168188
SMILES
CC(C)(C)OC(=O)C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)8-9(7-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/t9-/m1/s1
InChIKey
SJJQZIJVWBSAHD-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
75.87
TPSA
101.93

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1.3
Consensus LogP
1.75
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-3.09

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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