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CAS 1156170-01-2 4-Fluoro-2-bromophenol methylcyclopropyl ether molecular structure lightbox
CAS RN: 1156170-01-2

4-Fluoro-2-bromophenol methylcyclopropyl ether

  • Product code: SSC-015385
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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 1156170-01-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1156170-01-2 / 2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene

2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene | RefChem:466018 | 802-628-8

Standard CAS: 1156170-01-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1156170-01-2
Multi CAS
Yes
Molecular Formula
C10H10BrFO
Molecular Weight
245.090000
Exact Mass
243.989910
SMILES
C1CC1COC2=C(C=C(C=C2)F)Br
InChI
InChI=1S/C10H10BrFO/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKey
DMBRHDBGDYLULL-UHFFFAOYSA-N
Synonyms
2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene RefChem:466018 802-628-8 MFCD12138832 5-Fluoro-2-bromophenol methyl cyclopropyl ether

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
52.32
TPSA
9.23

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-1.82

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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