[email protected]
CAS 128397-42-2 Euojaponine D molecular structure lightbox
CAS RN: 128397-42-2

Euojaponine D

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251110 10mg Out of stock Inquiry
Batchno.20250807 5mg Out of stock Inquiry
  • Product code: starshine_CAS128397-42-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

128397-42-2 / [19,22,23-triacetyloxy-21-(acetyloxymethyl)-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-20-yl] benzoate

Standard CAS: 128397-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128397-42-2
Multi CAS
No
Molecular Formula
C41H47NO17
Molecular Weight
825.800000
Exact Mass
825.284399
SMILES
CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4O)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C41H47NO17/c1-20-15-16-27-26(14-11-17-42-27)37(50)53-18-38(6)28-29(54-22(3)44)33(56-24(5)46)40(19-52-21(2)43)34(58-36(49)25-12-9-8-10-13-25)30(55-23(4)45)32(57-35(20)48)39(7,51)41(40,59-38)31(28)47/h8-14,17,20,28-34,47,51H,15-16,18-19H2,1-7H3
InChIKey
ZJRDCQWLAILQHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
18
H-bond donors
2
Molar refractivity
195.6
TPSA
246.68

LogP / Solubility

WLOGP
1.59
MLOGP
1.47
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-6.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us