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CAS 74205-10-0 1-(2-METHOXYPHENYL)- CYCLOBUTANECARBONITRILE molecular structure lightbox
CAS RN: 74205-10-0

1-(2-METHOXYPHENYL)- CYCLOBUTANECARBONITRILE

  • Product code: SSC-183642
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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 74205-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

74205-10-0 / 1-(2-methoxyphenyl)cyclobutane-1-carbonitrile

Standard CAS: 74205-10-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74205-10-0
Multi CAS
No
Molecular Formula
C12H13NO
Molecular Weight
187.240000
Exact Mass
187.099714
InChI
InChI=1S/C12H13NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-8H2,1H3
InChIKey
NGAKDLJHLFTSEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.14
TPSA
33.02

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-1.99

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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