[email protected]
CAS 251980-67-3 2-broMo-4,4-diMethylcyclohex-1-enecarbaldehyde molecular structure lightbox
CAS RN: 251980-67-3

2-broMo-4,4-diMethylcyclohex-1-enecarbaldehyde

  • Product code: SSC-120913
GET A QUOTE
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: 10g, 1g, 0.1g, 0.25g, 5g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 251980-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
25g ≥95% 1 In Stock Shanghai Inquiry

251980-67-3 / 2-bromo-4,4-dimethylcyclohexene-1-carbaldehyde

Standard CAS: 251980-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
251980-67-3
Multi CAS
No
Molecular Formula
C9H13BRO
Molecular Weight
217.100000
Exact Mass
216.014980
InChI
InChI=1S/C9H13BrO/c1-9(2)4-3-7(6-11)8(10)5-9/h6H,3-5H2,1-2H3
InChIKey
WCVVNAQKPNQJBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.65
TPSA
17.07

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us