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CAS 1638764-30-3 tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate molecular structure lightbox
CAS RN: 1638764-30-3

tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate

  • Product code: SSC-071368
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1638764-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

1638764-30-3 / tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate

Standard CAS: 1638764-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638764-30-3
Multi CAS
No
Molecular Formula
C11H19NO3
Molecular Weight
213.270000
Exact Mass
213.136493
SMILES
CC1(CCC(=O)C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(4)6-5-8(13)7-11/h5-7H2,1-4H3,(H,12,14)
InChIKey
OZNDNCZRIIVTBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.63
TPSA
55.4

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1
Consensus LogP
1.6
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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