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CAS 35711-41-2 1-CYCLOHEXYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 35711-41-2

1-CYCLOHEXYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE

  • Product code: SSC-142755
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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: 0.25g
  • 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 35711-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

35711-41-2 / 1-cyclohexyl-2,5-dimethylpyrrole-3-carbaldehyde

Standard CAS: 35711-41-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35711-41-2
Multi CAS
Yes
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
InChI
InChI=1S/C13H19NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3
InChIKey
HRRUKGPVBSKOJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.42
TPSA
22

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
2.6
Consensus LogP
3.01
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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