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CAS 675605-47-7 Carbamic acid, (4-amino-2-butynyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 675605-47-7

Carbamic acid, (4-amino-2-butynyl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: starshine_CAS675605-47-7
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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: 0.05g, 0.1g, 0.25g
  • 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 675605-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g 95%+ 0 Out of Stock Shanghai Inquiry
0.1g 95%+ 0 Out of Stock Hong Kong Inquiry
0.25g 95%+ 0 Out of Stock Shenzhen Inquiry

675605-47-7 / tert-butyl N-(4-aminobut-2-ynyl)carbamate

Standard CAS: 675605-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
675605-47-7
Multi CAS
No
Molecular Formula
C9H16N2O2
Molecular Weight
184.240000
Exact Mass
184.121178
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h6-7,10H2,1-3H3,(H,11,12)
InChIKey
AVNMNRILESBVDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.07
TPSA
64.35

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
Consensus LogP
0.29
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.51

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
1.5

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