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CAS 58203-68-2 2,2-DIMETHYL-5-HEXENOIC ACID molecular structure lightbox
CAS RN: 58203-68-2

2,2-DIMETHYL-5-HEXENOIC ACID

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-166456
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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: ≥97%
  • 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 58203-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

58203-68-2 / 2,2-dimethylhex-5-enoic acid

Standard CAS: 58203-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58203-68-2
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10)
InChIKey
LUOVXOGESOTATJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.85
TPSA
37.3

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.12

Drug-likeness / Medicinal Chemistry

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

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