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CAS 847416-99-3 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 847416-99-3

INDEX NAME NOT YET ASSIGNED

  • Product code: SSC-192300
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 0.1g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 847416-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
100g ≥97% 2 In Stock Shenzhen Inquiry

847416-99-3 / tert-butyl N-[(1S)-3-oxocyclopentyl]carbamate

Standard CAS: 847416-99-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847416-99-3
Multi CAS
Yes
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKey
CLOXAWYNXXEWBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.02
TPSA
55.4

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
0.8
Consensus LogP
1.29
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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