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CAS 927833-58-7 1-METHYL-4-(1-METHYLCYCLOPENT-3-ENYL)BENZENE molecular structure lightbox
CAS RN: 927833-58-7

1-METHYL-4-(1-METHYLCYCLOPENT-3-ENYL)BENZENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-206593
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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 927833-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

927833-58-7 / 1-methyl-4-(1-methylcyclopent-3-en-1-yl)benzene

Standard CAS: 927833-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
927833-58-7
Multi CAS
No
Molecular Formula
C13H16
Molecular Weight
172.270000
Exact Mass
172.125201
InChI
InChI=1S/C13H16/c1-11-5-7-12(8-6-11)13(2)9-3-4-10-13/h3-8H,9-10H2,1-2H3
InChIKey
AEWRDKYQHGVEHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
Molar refractivity
56.91
TPSA
0.0000

LogP / Solubility

WLOGP
3.6
MLOGP
3.17
XLogP3
4
Consensus LogP
3.59
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.21

Drug-likeness / Medicinal Chemistry

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

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