[email protected]
CAS 17454-48-7 CYCLOHEXANO-15-CROWN-5 molecular structure lightbox
CAS RN: 17454-48-7

CYCLOHEXANO-15-CROWN-5

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17454-48-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17454-48-7 / 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane

Standard CAS: 17454-48-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17454-48-7
Multi CAS
No
Molecular Formula
C14H26O5
Molecular Weight
274.350000
Exact Mass
274.178024
SMILES
C1CCC2C(C1)OCCOCCOCCOCCO2
InChI
InChI=1S/C14H26O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h13-14H,1-12H2
InChIKey
GQRWGIWRQMNZNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
H-bond acceptors
5
Molar refractivity
70.41
TPSA
46.15

LogP / Solubility

WLOGP
1.39
MLOGP
1.24
XLogP3
0.6
Consensus LogP
1.08
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us