[email protected]
CAS 98644-24-7 Zedoarondiol molecular structure lightbox
CAS RN: 98644-24-7

Zedoarondiol

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260507 10mg In stock Shanghai Inquiry
Batchno.20260218 1mg In stock Shanghai Inquiry
Batchno.20250725 25mg Out of stock Inquiry
Batchno.20250929 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS98644-24-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

98644-24-7 / 3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one

Standard CAS: 98644-24-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
98644-24-7
Multi CAS
Yes
Molecular Formula
C15H24O3
Molecular Weight
252.350000
Exact Mass
252.172545
InChI
InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,14-,15+/m1/s1
InChIKey
TXIKNNOOLCGADE-OSRDXIQISA-N

Physical Properties

Melting Point
133 - 134 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.08
TPSA
57.53

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.6
Consensus LogP
1.92
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us