[email protected]
CAS 1599-67-3 1-Docosene molecular structure lightbox
CAS RN: 1599-67-3

1-Docosene

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 1g In stock Inquiry
Batchno.20251225 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251010 1g In stock Shanghai, Shandong Inquiry
Batchno.20260301 5g In stock Shanghai, Chongqing Inquiry
  • Product code: ICTD1013
  • Purity/Analytical Methods: >99.0%(GC)
GET A QUOTE

1599-67-3 / docos-1-ene

Standard CAS: 1599-67-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1599-67-3
Multi CAS
No
Molecular Formula
C22H44
Molecular Weight
308.600000
Exact Mass
308.344301
SMILES
CCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
InChIKey
SPURMHFLEKVAAS-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.91
Rotatable bonds
19
Molar refractivity
103.59
TPSA
0.0000

LogP / Solubility

WLOGP
8.6
MLOGP
7.58
XLogP3
12.2
Consensus LogP
9.46
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
1.51

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
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H304 (60%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (20%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us