[email protected]
CAS 6508-43-6 5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1OXO-1H-XANTHEN-9-YL)-1,3-CYCLOHEXANEDIONE molecular structure lightbox
CAS RN: 6508-43-6

5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1OXO-1H-XANTHEN-9-YL)-1,3-CYCLOHEXANEDIONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS6508-43-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

6508-43-6 / 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one

Standard CAS: 6508-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6508-43-6
Multi CAS
Yes
Molecular Formula
C23H26O4
Molecular Weight
366.400000
Exact Mass
366.183109
InChI
InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
InChIKey
XQDXIHYKAGHZRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.54
TPSA
63.6

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
3.6
Consensus LogP
4.35
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us