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CAS 10421-18-8 4-(pyrrolidin-1-yl)cyclohexanone molecular structure lightbox
CAS RN: 10421-18-8

4-(pyrrolidin-1-yl)cyclohexanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-005973
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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 10421-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10421-18-8 / 4-pyrrolidin-1-ylcyclohexan-1-one

4-(pyrrolidin-1-yl)cyclohexanone | 4-(Pyrrolidin-1-yl)cyclohexan-1-one | 4-pyrrolidin-1-ylcyclohexan-1-one

Standard CAS: 10421-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10421-18-8
Multi CAS
No
Molecular Formula
C10H17NO
Molecular Weight
167.250000
Exact Mass
167.131014
SMILES
C1CCN(C1)C2CCC(=O)CC2
InChI
InChI=1S/C10H17NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h9H,1-8H2
InChIKey
RDGIABKZGSKWCC-UHFFFAOYSA-N
Synonyms
4-(pyrrolidin-1-yl)cyclohexanone 4-(Pyrrolidin-1-yl)cyclohexan-1-one 4-pyrrolidin-1-ylcyclohexan-1-one 4-(1-Pyrrolidinyl)cyclohexanone 4-(1-Pyrrolidinyl)-cyclohexanone

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.07
TPSA
20.31

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1
Consensus LogP
1.33
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.61

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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