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CAS 147091-70-1 “tert-butyl (S)-1-(Methoxycarbonyl)-2-cyanoethylcarbaMate” molecular structure lightbox
CAS RN: 147091-70-1

“tert-butyl (S)-1-(Methoxycarbonyl)-2-cyanoethylcarbaMate”

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-057926
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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 147091-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

147091-70-1 / methyl (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 147091-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147091-70-1
Multi CAS
No
Molecular Formula
C10H16N2O4
Molecular Weight
228.240000
Exact Mass
228.111007
SMILES
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)OC
InChI
InChI=1S/C10H16N2O4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKey
LXOOXGNHKNWNLH-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.4
TPSA
88.42

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

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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