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CAS 3879-26-3 NERYLACETONE molecular structure lightbox
CAS RN: 3879-26-3

NERYLACETONE

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260420 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250904 100mg In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20250213 250mg In stock Shanghai Inquiry
  • Product code: SSC-146416
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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: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 3879-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

3879-26-3 / 6,10-dimethylundeca-5,9-dien-2-one

Standard CAS: 3879-26-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3879-26-3
Multi CAS
Yes
Molecular Formula
C13H22O
Molecular Weight
194.310000
Exact Mass
194.167065
InChI
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3
InChIKey
HNZUNIKWNYHEJJ-UHFFFAOYSA-N

Physical Properties

Density
0.861-0.873
Physical Description
Colourless slightly yellow liquid; fresh floral but penetrating sweet-rosey aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
62.34
TPSA
17.07

LogP / Solubility

WLOGP
4.05
MLOGP
3.56
XLogP3
3.7
Consensus LogP
3.77
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.03

Drug-likeness / Medicinal Chemistry

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

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