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CAS 57521-85-4 BOC-D-NVA-OH molecular structure lightbox
CAS RN: 57521-85-4

BOC-D-NVA-OH

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-165688
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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: 25g
  • 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 57521-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

57521-85-4 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Standard CAS: 57521-85-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57521-85-4
Multi CAS
Yes
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
InChI
InChI=1S/C10H19NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
INWOAUUPYIXDHN-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.7
TPSA
75.63

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.8
Consensus LogP
1.7
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

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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