[email protected]
CAS 6064-27-3 6-DODECANONE molecular structure lightbox
CAS RN: 6064-27-3

6-DODECANONE

  • Product code: SSC-169265
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 6064-27-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

6064-27-3 / dodecan-6-one

Standard CAS: 6064-27-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6064-27-3
Multi CAS
Yes
Molecular Formula
C12H24O
Molecular Weight
184.320000
Exact Mass
184.182715
InChI
InChI=1S/C12H24O/c1-3-5-7-9-11-12(13)10-8-6-4-2/h3-11H2,1-2H3
InChIKey
ZAQZICGOYPRHCK-UHFFFAOYSA-N

Physical Properties

Physical Description
Melting point = 9 deg C

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
57.91
TPSA
17.07

LogP / Solubility

WLOGP
4.11
MLOGP
3.61
XLogP3
4.3
Consensus LogP
4.01
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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)
-0.93

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