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CAS 38451-63-7 Asatone molecular structure lightbox
CAS RN: 38451-63-7

Asatone

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg In stock Shanghai Inquiry
Batchno.20250302 10mg In stock Shanghai Inquiry
Batchno.20250903 1mg In stock Shanghai Inquiry
Batchno.20250528 25mg In stock Shanghai Inquiry
Batchno.20251008 50mg In stock Shanghai Inquiry
Batchno.20250723 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS38451-63-7
  • Purity/Analytical Methods: >99.0%
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38451-63-7 / 3,3,5,8,10,10-hexamethoxy-7,11-bis(prop-2-enyl)tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione

Standard CAS: 38451-63-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38451-63-7
Multi CAS
Yes
Molecular Formula
C24H32O8
Molecular Weight
448.500000
Exact Mass
448.209718
InChI
InChI=1S/C24H32O8/c1-9-11-15-13-22(28-4)20(26)23(29-5,30-6)17(15)18-21(22,12-10-2)14-16(27-3)19(25)24(18,31-7)32-8/h9-10,13-14,17-18H,1-2,11-12H2,3-8H3
InChIKey
XBKKBTPYPCCCKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.58
Rotatable bonds
10
H-bond acceptors
8
Molar refractivity
115.47
TPSA
89.52

LogP / Solubility

WLOGP
2.36
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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