[email protected]
CAS 38259-00-6 Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde molecular structure lightbox
CAS RN: 38259-00-6

Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-145795
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: 1g
  • Available purity: ≥95%
  • 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 38259-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

38259-00-6 / bicyclo[2.2.2]oct-5-ene-2-carbaldehyde

Standard CAS: 38259-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38259-00-6
Multi CAS
Yes
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
InChI
InChI=1S/C9H12O/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,6-9H,2,4-5H2
InChIKey
KCHFYKPIADOPBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.53
TPSA
17.07

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.28

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
5

Customers Also Viewed

Get In Touch

Contact Us