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CAS 951163-64-7 tert-butyl ((2S,4R)-1,5-dihydroxy-4-methylpentan-2-yl)carbamate(WXC09073) molecular structure lightbox
CAS RN: 951163-64-7

tert-butyl ((2S,4R)-1,5-dihydroxy-4-methylpentan-2-yl)carbamate(WXC09073)

  • Product code: SSC-210351
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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: ≥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 951163-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

951163-64-7 / tert-butyl N-[(2S,4R)-1,5-dihydroxy-4-methylpentan-2-yl]carbamate

Standard CAS: 951163-64-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
951163-64-7
Multi CAS
Yes
Molecular Formula
C11H23NO4
Molecular Weight
233.300000
Exact Mass
233.162708
InChI
InChI=1S/C11H23NO4/c1-8(6-13)5-9(7-14)12-10(15)16-11(2,3)4/h8-9,13-14H,5-7H2,1-4H3,(H,12,15)/t8-,9+/m1/s1
InChIKey
URFWMVABMIQHSM-BDAKNGLRSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
61.11
TPSA
78.79

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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