[email protected]
CAS 645-62-5 2-ETHYL-2-HEXENAL molecular structure lightbox
CAS RN: 645-62-5

2-ETHYL-2-HEXENAL

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 5mL / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Guangdong, Shandong Inquiry
  • Product code: SSC-174249
GET A QUOTE
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: 100g
  • Available purity: ≥94%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 645-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥94% 0 Out of Stock Shanghai Inquiry

645-62-5 / 2-ethylhex-2-enal

Standard CAS: 645-62-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
645-62-5
Multi CAS
Yes
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
InChI
InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3
InChIKey
PYLMCYQHBRSDND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
39.35
TPSA
17.07

LogP / Solubility

WLOGP
2.32
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.22
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.84

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

Customers Also Viewed

Get In Touch

Contact Us