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CAS 886366-33-2 1-(3-BroMophenyl)cyclopropaneMethanol molecular structure lightbox
CAS RN: 886366-33-2

1-(3-BroMophenyl)cyclopropaneMethanol

  • Product code: SSC-199878
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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 886366-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

886366-33-2 / [1-(3-bromophenyl)cyclopropyl]methanol

Standard CAS: 886366-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886366-33-2
Multi CAS
No
Molecular Formula
C10H11BRO
Molecular Weight
227.100000
Exact Mass
225.999330
InChI
InChI=1S/C10H11BrO/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6,12H,4-5,7H2
InChIKey
CDIOPADYQGYOTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.14
TPSA
20.23

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.35

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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