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CAS 19936-14-2 1-(4-Bromophenyl)cyclobutanol molecular structure lightbox
CAS RN: 19936-14-2

1-(4-Bromophenyl)cyclobutanol

  • Product code: SSC-093883
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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, 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 19936-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

19936-14-2 / 1-(4-bromophenyl)cyclobutan-1-ol

Standard CAS: 19936-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19936-14-2
Multi CAS
No
Molecular Formula
C10H11BrO
Molecular Weight
227.100000
Exact Mass
225.999330
SMILES
C1CC(C1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C10H11BrO/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5,12H,1,6-7H2
InChIKey
ZOAWHKTZPRKVFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.89
TPSA
20.23

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.4
Consensus LogP
2.57
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.1

Drug-likeness / Medicinal Chemistry

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

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