CAS RN: 63335-24-0
Malabaricone B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260422 | 10mg / 20mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63335-24-0
- Purity/Analytical Methods: >99.0%
63335-24-0 / 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
Basic Information
CAS
63335-24-0
Multi CAS
Yes
Molecular Formula
C21H26O4
Molecular Weight
342.400000
Exact Mass
342.183109
InChI
InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2
InChIKey
KOAPDMKKECXPHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
98.23
TPSA
77.76
LogP / Solubility
WLOGP
4.96
MLOGP
4.38
XLogP3
6
Consensus LogP
5.11
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
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
2.5
Customers Also Viewed
-
Malabaricone C
- CAS RN: 63335-25-1
- Product Code: starshine_CAS63335-25-1
- Purity/Analytical method: >99.0%
-
-
BORON MONOCHLORIDE-METHYL SULFIDE COMPLEX
- CAS RN: 63348-81-2
- Product Code: starshine_CAS63348-81-2
- Purity/Analytical method: >99.0%
-
-
3-(Dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochloride
- CAS RN: 63352-94-3
- Product Code: SSC-173003
-
