[email protected]
CAS 3891-98-3 2,6,10-TRIMETHYLDODECANE molecular structure lightbox
CAS RN: 3891-98-3

2,6,10-TRIMETHYLDODECANE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260405 250mg In stock Inquiry
Batchno.20260627 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250712 1g In stock Shanghai Inquiry
Batchno.20260421 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250306 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS3891-98-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3891-98-3 / 2,6,10-trimethyldodecane

Standard CAS: 3891-98-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3891-98-3
Multi CAS
No
Molecular Formula
C15H32
Molecular Weight
212.410000
Exact Mass
212.250401
InChI
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKey
YFHFHLSMISYUAQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless liquid with an odor of paraffins
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
9
Molar refractivity
71.16
TPSA
0.0000

LogP / Solubility

WLOGP
5.67
MLOGP
4.99
XLogP3
7.5
Consensus LogP
6.05
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble

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)
0.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us