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CAS 104719-63-3 BOC-D-GLU(OTBU)-OH molecular structure lightbox
CAS RN: 104719-63-3

BOC-D-GLU(OTBU)-OH

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250603 1g In stock Inquiry
Batchno.20251125 25g In stock Inquiry
Batchno.20250321 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250718 1g / 5g / 25g / 100g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-006471
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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: 100g
  • 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 104719-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

104719-63-3 / (2R)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

5-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid | (2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid | Boc-D-glutamic acid 5-tert-butyl ester

Standard CAS: 104719-63-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104719-63-3
Multi CAS
Yes
Molecular Formula
C14H25NO6
Molecular Weight
303.350000
Exact Mass
303.168188
SMILES
CC(C)(C)OC(=O)CC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)/t9-/m1/s1
InChIKey
YGSRAYJBEREVRB-SECBINFHSA-N
Synonyms
5-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid (2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Boc-D-glutamic acid 5-tert-butyl ester Boc-D-glutamic acid-gamma-tert-butyl ester NSC164048

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
1.7
Consensus LogP
1.88
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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