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CAS 30293-86-8 Methyl (S)-(-)-2-Isocyanato-3-methylbutyrate molecular structure lightbox
CAS RN: 30293-86-8

Methyl (S)-(-)-2-Isocyanato-3-methylbutyrate

  • Product code: SSC-134283
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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 30293-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

30293-86-8 / methyl 2-isocyanato-3-methylbutanoate

Standard CAS: 30293-86-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30293-86-8
Multi CAS
Yes
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
InChI
InChI=1S/C7H11NO3/c1-5(2)6(8-4-9)7(10)11-3/h5-6H,1-3H3
InChIKey
JCVZXXSBCISMLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
38.76
TPSA
55.73

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
2.5
Consensus LogP
1.16
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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