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CAS 27546-47-0 Benzene, 1-cyclopropyl-2,4-diMethyl- molecular structure lightbox
CAS RN: 27546-47-0

Benzene, 1-cyclopropyl-2,4-diMethyl-

  • Product code: SSC-127073
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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: 5g
  • 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 27546-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

27546-47-0 / 1-cyclopropyl-2,4-dimethylbenzene

Standard CAS: 27546-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27546-47-0
Multi CAS
No
Molecular Formula
C11H14
Molecular Weight
146.230000
Exact Mass
146.109550
InChI
InChI=1S/C11H14/c1-8-3-6-11(9(2)7-8)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3
InChIKey
IKCIWZCTHIIFPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
Molar refractivity
47.89
TPSA
0.0000

LogP / Solubility

WLOGP
3.18
MLOGP
2.79
XLogP3
3.6
Consensus LogP
3.19
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-1.35

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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