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CAS 145296-43-1 Carbamic acid, [(1S)-1-formyl-2-methoxyethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 145296-43-1

Carbamic acid, [(1S)-1-formyl-2-methoxyethyl]-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-056626
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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 145296-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

145296-43-1 / tert-butyl N-[(2S)-1-methoxy-3-oxopropan-2-yl]carbamate

Standard CAS: 145296-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145296-43-1
Multi CAS
No
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
SMILES
CC(C)(C)OC(=O)N[C@@H](COC)C=O
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h5,7H,6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKey
LPYDCOMBGHGXAC-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.1
TPSA
64.63

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
0.3
Consensus LogP
0.55
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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