[email protected]
CAS 43052-87-5 Alpha-Damascone molecular structure lightbox
CAS RN: 43052-87-5

Alpha-Damascone

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100g In stock Inquiry
Batchno.20250801 25g In stock Inquiry
Batchno.20250710 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 100g Out of stock Inquiry
Batchno.20260508 10g In stock Shanghai Inquiry
Batchno.20251202 25g In stock Shanghai Inquiry
Batchno.20250715 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS43052-87-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

43052-87-5 / 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one

Standard CAS: 43052-87-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
43052-87-5
Multi CAS
Yes
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChIKey
CRIGTVCBMUKRSL-FNORWQNLSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.08
TPSA
17.07

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.4

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
2

Customers Also Viewed

Get In Touch

Contact Us