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CAS 1053265-67-0 (2-broMo-5,5-diMethylcyclohex-1-en-1-yl)Methanol molecular structure lightbox
CAS RN: 1053265-67-0

(2-broMo-5,5-diMethylcyclohex-1-en-1-yl)Methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-007066
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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 1053265-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1053265-67-0 / (2-bromo-5,5-dimethylcyclohexen-1-yl)methanol

(2-Bromo-5,5-dimethylcyclohex-1-en-1-yl)methanol | (2-bromo-5,5-dimethylcyclohexen-1-yl)methanol | MFCD23099033

Standard CAS: 1053265-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1053265-67-0
Multi CAS
No
Molecular Formula
C9H15BrO
Molecular Weight
219.120000
Exact Mass
218.030630
SMILES
CC1(CCC(=C(C1)CO)Br)C
InChI
InChI=1S/C9H15BrO/c1-9(2)4-3-8(10)7(5-9)6-11/h11H,3-6H2,1-2H3
InChIKey
HDNZYMKCYWLHGA-UHFFFAOYSA-N
Synonyms
(2-Bromo-5,5-dimethylcyclohex-1-en-1-yl)methanol (2-bromo-5,5-dimethylcyclohexen-1-yl)methanol MFCD23099033 2-bromo-5,5-dimethyl-1-Cyclohexene-1-methanol SCHEMBL3821394

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.67
TPSA
20.23

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2
Consensus LogP
2.45
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.04

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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