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CAS 1374657-01-8 3-(Boc-amino)-3-methylcyclohexanone molecular structure lightbox
CAS RN: 1374657-01-8

3-(Boc-amino)-3-methylcyclohexanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-047066
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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 1374657-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1374657-01-8 / tert-butyl N-(1-methyl-3-oxocyclohexyl)carbamate

Standard CAS: 1374657-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374657-01-8
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC1(CCCC(=O)C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-12(4)7-5-6-9(14)8-12/h5-8H2,1-4H3,(H,13,15)
InChIKey
TUVHCADSKJLFIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.25
TPSA
55.4

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
1.3
Consensus LogP
1.95
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-2.39

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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