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CAS 3392-12-9 tert-Butoxycarbonyl-L-valine N-hydroxysuccinimide ester molecular structure lightbox
CAS RN: 3392-12-9

tert-Butoxycarbonyl-L-valine N-hydroxysuccinimide ester

  • Product code: SSC-140117
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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 3392-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

3392-12-9 / (2,5-dioxopyrrolidin-1-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Standard CAS: 3392-12-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3392-12-9
Multi CAS
Yes
Molecular Formula
C14H22N2O6
Molecular Weight
314.330000
Exact Mass
314.147786
InChI
InChI=1S/C14H22N2O6/c1-8(2)11(15-13(20)21-14(3,4)5)12(19)22-16-9(17)6-7-10(16)18/h8,11H,6-7H2,1-5H3,(H,15,20)/t11-/m0/s1
InChIKey
POBDBYGSGKMZPH-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
75.17
TPSA
102.01

LogP / Solubility

WLOGP
1.14
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-3.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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