[email protected]
CAS 60450-21-7 Morindone-6-O-β-D-primeveroside molecular structure lightbox
CAS RN: 60450-21-7

Morindone-6-O-β-D-primeveroside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260301 5mg Out of stock Inquiry
  • Product code: starshine_CAS60450-21-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

60450-21-7 / 1,5-dihydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

Standard CAS: 60450-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60450-21-7
Multi CAS
Yes
Molecular Formula
C26H28O14
Molecular Weight
564.500000
Exact Mass
564.147906
InChI
InChI=1S/C26H28O14/c1-8-2-3-9-14(16(8)28)17(29)10-4-5-12(20(32)15(10)18(9)30)39-26-24(36)22(34)21(33)13(40-26)7-38-25-23(35)19(31)11(27)6-37-25/h2-5,11,13,19,21-28,31-36H,6-7H2,1H3/t11-,13-,19+,21-,22+,23-,24-,25+,26-/m1/s1
InChIKey
UVLAQGRQOILFBG-UHCLWRNRSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
14
H-bond donors
8
Molar refractivity
128.84
TPSA
232.9

LogP / Solubility

WLOGP
-2.18
MLOGP
-1.87
XLogP3
-0.6
Consensus LogP
-1.55
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us