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CAS 1202186-71-7 1-Cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-5,5-diMethyl- molecular structure lightbox
CAS RN: 1202186-71-7

1-Cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-5,5-diMethyl-

  • Product code: SSC-021073
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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, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1202186-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1202186-71-7 / 2-(4-chlorophenyl)-5,5-dimethylcyclohexene-1-carbaldehyde

2-(4-chlorophenyl)-5,5-dimethyl-1-Cyclohexene-1-carboxaldehyde | MFCD25977218 | 4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde

Standard CAS: 1202186-71-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1202186-71-7
Multi CAS
Yes
Molecular Formula
C15H17ClO
Molecular Weight
248.750000
Exact Mass
248.096793
SMILES
CC1(CCC(=C(C1)C=O)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C15H17ClO/c1-15(2)8-7-14(12(9-15)10-17)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKey
ICUYKCFWVCNLNW-UHFFFAOYSA-N
Synonyms
2-(4-chlorophenyl)-5,5-dimethyl-1-Cyclohexene-1-carboxaldehyde MFCD25977218 4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde 1-Cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-5,5-dimethyl- 2-(4-chlorophenyl)-5,5-dimethylcyclohexene-1-carbaldehyde

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.07
TPSA
17.07

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
4.1
Consensus LogP
4.19
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04

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

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