[email protected]
CAS 7580-12-3 2,4,6-TRIPROPAN-2-YL-1,3,5-TRIOXANE molecular structure lightbox
CAS RN: 7580-12-3

2,4,6-TRIPROPAN-2-YL-1,3,5-TRIOXANE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250720 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251104 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS7580-12-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7580-12-3 / 2,4,6-tri(propan-2-yl)-1,3,5-trioxane

Standard CAS: 7580-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7580-12-3
Multi CAS
Yes
Molecular Formula
C12H24O3
Molecular Weight
216.320000
Exact Mass
216.172545
InChI
InChI=1S/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3
InChIKey
XYIANCZIPATGDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.13
TPSA
27.69

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
4
Consensus LogP
3.21
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-1.91

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us