[email protected]
CAS 7255-28-9 Hexaketocyclohexane octahydrate molecular structure lightbox
CAS RN: 7255-28-9

Hexaketocyclohexane octahydrate

  • Product code: SSC-182045
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: ≥97%
  • 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 7255-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

7255-28-9 / cyclohexane-1,2,3,4,5,6-hexone;octahydrate

Standard CAS: 7255-28-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7255-28-9
Multi CAS
Yes
Molecular Formula
C6H16O14
Molecular Weight
312.180000
Exact Mass
312.054005
InChI
InChI=1S/C6O6.8H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;;;/h;8*1H2
InChIKey
MQIMWEBORAIJPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
H-bond acceptors
6
H-bond donors
8
Molar refractivity
58.95
TPSA
354.42

LogP / Solubility

WLOGP
-9.18
MLOGP
-8.07
XLogP3
-9.18
Consensus LogP
-8.81
Log S (ESOL)
4.01
Class (ESOL)
Highly soluble
Log S (Ali)
4.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.93
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-11.14

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us