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CAS 320581-09-7 Carbamic acid, (2-amino-1,1-dimethylethyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 320581-09-7

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

  • Product code: SSC-137525
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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: ＞97%
  • 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 320581-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

320581-09-7 / tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate

Standard CAS: 320581-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
320581-09-7
Multi CAS
No
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
InChI
InChI=1S/C9H20N2O2/c1-8(2,3)13-7(12)11-9(4,5)6-10/h6,10H2,1-5H3,(H,11,12)
InChIKey
VFEPPZUGBHOHKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.5
TPSA
64.35

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
0.6
Consensus LogP
0.98
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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