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CAS 352674-04-5 Carbamic acid, [(1R)-2-fluoro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 352674-04-5

Carbamic acid, [(1R)-2-fluoro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester

  • Product code: SSC-142231
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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 352674-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

352674-04-5 / tert-butyl N-[(2R)-1-fluoro-1-oxopropan-2-yl]carbamate

Standard CAS: 352674-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352674-04-5
Multi CAS
No
Molecular Formula
C8FH14NO3
Molecular Weight
191.200000
Exact Mass
191.095771
InChI
InChI=1S/C8H14FNO3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H,10,12)/t5-/m1/s1
InChIKey
SQNGSMRRZKRBOG-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.95
TPSA
55.4

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.9

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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