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CAS 117360-45-9 1-Cyclohexene-1-methanol, 2-bromo- molecular structure lightbox
CAS RN: 117360-45-9

1-Cyclohexene-1-methanol, 2-bromo-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-017205
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117360-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Beijing Inquiry

117360-45-9 / (2-bromocyclohexen-1-yl)methanol

1-Cyclohexene-1-methanol, 2-bromo- | DTXSID90463680 | RefChem:229683

Standard CAS: 117360-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117360-45-9
Multi CAS
No
Molecular Formula
C7H11BrO
Molecular Weight
191.070000
Exact Mass
189.999330
SMILES
C1CCC(=C(C1)CO)Br
InChI
InChI=1S/C7H11BrO/c8-7-4-2-1-3-6(7)5-9/h9H,1-5H2
InChIKey
SCUFZUNMLIZMCM-UHFFFAOYSA-N
Synonyms
1-Cyclohexene-1-methanol, 2-bromo- DTXSID90463680 RefChem:229683 DTXCID30414499 2-Bromo-1-cyclohexene-1-methanol

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.51
TPSA
20.23

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.4
Consensus LogP
1.85
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.32

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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