[email protected]
CAS 18435-22-8 Tetradecane, 3-methyl- molecular structure lightbox
CAS RN: 18435-22-8

Tetradecane, 3-methyl-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS18435-22-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18435-22-8 / 3-methyltetradecane

Standard CAS: 18435-22-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
18435-22-8
Multi CAS
No
Molecular Formula
C15H32
Molecular Weight
212.410000
Exact Mass
212.250401
SMILES
CCCCCCCCCCCC(C)CC
InChI
InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3
InChIKey
HXUYUZCPGPKNGS-UHFFFAOYSA-N

Physical Properties

Boiling Point
264.00 to 265.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
11
Molar refractivity
71.3
TPSA
0.0000

LogP / Solubility

WLOGP
5.95
MLOGP
5.24
XLogP3
8.1
Consensus LogP
6.43
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.3
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)
0.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us