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CAS 114360-55-3 H-D-DAB(BOC)-OH molecular structure lightbox
CAS RN: 114360-55-3

H-D-DAB(BOC)-OH

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 250mg In stock Shanghai Inquiry
  • Product code: SSC-014188
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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: 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 114360-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

114360-55-3 / (2R)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

2-amino-4-((tert-butoxycarbonyl)amino)butanoic acid | 2-amino-4-{[(tert-butoxy)carbonyl]amino}butanoic acid | (2S)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid

Standard CAS: 114360-55-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114360-55-3
Multi CAS
Yes
Molecular Formula
C9H18N2O4
Molecular Weight
218.250000
Exact Mass
218.126657
SMILES
CC(C)(C)OC(=O)NCC[C@H](C(=O)O)N
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-4-6(10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChIKey
ICJFZQLAIOCZNG-ZCFIWIBFSA-N
Synonyms
2-amino-4-((tert-butoxycarbonyl)amino)butanoic acid 2-amino-4-{[(tert-butoxy)carbonyl]amino}butanoic acid (2S)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid 2-amino-4-(tert-butoxycarbonylamino)butanoic acid SCHEMBL352610

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.46
TPSA
101.65

LogP / Solubility

WLOGP
0.31
MLOGP
0.28
XLogP3
-2.3
Consensus LogP
-0.57
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.83

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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