[email protected]
CAS 63335-25-1 Malabaricone C molecular structure lightbox
CAS RN: 63335-25-1

Malabaricone C

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 20mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS63335-25-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

63335-25-1 / 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one

Standard CAS: 63335-25-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
63335-25-1
Multi CAS
Yes
Molecular Formula
C21H26O5
Molecular Weight
358.400000
Exact Mass
358.178024
InChI
InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
InChIKey
HCOZRFYGIFMIEX-UHFFFAOYSA-N

Physical Properties

Melting Point
119 - 121 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
4
Molar refractivity
99.9
TPSA
97.99

LogP / Solubility

WLOGP
4.67
MLOGP
4.12
XLogP3
5.7
Consensus LogP
4.83
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us