[email protected]
CAS 25645-19-6 (2S,5E)-5-Methyl-9-methylene-2-isopropyl-5-cyclodecen-1-one molecular structure lightbox
CAS RN: 25645-19-6

(2S,5E)-5-Methyl-9-methylene-2-isopropyl-5-cyclodecen-1-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250715 1mg Out of stock Inquiry
  • Product code: starshine_CAS25645-19-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

25645-19-6 / (5Z)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one

Standard CAS: 25645-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25645-19-6
Multi CAS
No
Molecular Formula
C15H24O
Molecular Weight
220.350000
Exact Mass
220.182715
SMILES
C/C/1=C/CCC(=C)CC(=O)C(CC1)C(C)C
InChI
InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6-
InChIKey
QTFJNWQFKJITEE-SDQBBNPISA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
69.32
TPSA
17.07

LogP / Solubility

WLOGP
4.29
MLOGP
3.78
XLogP3
3.4
Consensus LogP
3.82
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
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)
-1.02

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
3.5

Customers Also Viewed

Get In Touch

Contact Us