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CAS 170850-75-6 BOC-HYP-OTBU molecular structure lightbox
CAS RN: 170850-75-6

BOC-HYP-OTBU

  • Product code: SSC-075251
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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: ＞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 170850-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

170850-75-6 / ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

Standard CAS: 170850-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170850-75-6
Multi CAS
No
Molecular Formula
C14H25NO5
Molecular Weight
287.350000
Exact Mass
287.173273
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C14H25NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKey
OXHIVNUWGSCHBD-ZJUUUORDSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.2
TPSA
76.07

LogP / Solubility

WLOGP
1.7
MLOGP
1.51
XLogP3
1.6
Consensus LogP
1.6
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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