[email protected]
CAS 1432058-90-6 10-Acetoxyscandine molecular structure lightbox
CAS RN: 1432058-90-6

10-Acetoxyscandine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250721 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1432058-90-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1432058-90-6 / methyl 4-acetyloxy-12-ethenyl-9-oxo-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

Standard CAS: 1432058-90-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1432058-90-6
Multi CAS
No
Molecular Formula
C23H24N2O5
Molecular Weight
408.400000
Exact Mass
408.168522
SMILES
CC(=O)OC1=CC2=C(C=C1)NC(=O)C3(C24CCN5C4C(C3)(C=CC5)C=C)C(=O)OC
InChI
InChI=1S/C23H24N2O5/c1-4-21-8-5-10-25-11-9-22(18(21)25)16-12-15(30-14(2)26)6-7-17(16)24-19(27)23(22,13-21)20(28)29-3/h4-8,12,18H,1,9-11,13H2,2-3H3,(H,24,27)
InChIKey
WNMYJNHYRVHLTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
108.87
TPSA
84.94

LogP / Solubility

WLOGP
2.18
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

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
6.5

Customers Also Viewed

Get In Touch

Contact Us