[email protected]
CAS 18787-63-8 2-HEXADECANONE molecular structure lightbox
CAS RN: 18787-63-8

2-HEXADECANONE

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250601 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-087345
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18787-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

18787-63-8 / hexadecan-2-one

Standard CAS: 18787-63-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
18787-63-8
Multi CAS
No
Molecular Formula
C16H32O
Molecular Weight
240.420000
Exact Mass
240.245316
SMILES
CCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
InChIKey
XCXKZBWAKKPFCJ-UHFFFAOYSA-N

Physical Properties

Melting Point
43 - 43.5 °C
Boiling Point
317.00 to 318.00 °C. @ 760.00 mm Hg
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
76.38
TPSA
17.07

LogP / Solubility

WLOGP
5.67
MLOGP
4.99
XLogP3
6.8
Consensus LogP
5.82
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.49
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)
-0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us