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CAS 77658-84-5 Antineoplaston A10 molecular structure lightbox
CAS RN: 77658-84-5

Antineoplaston A10

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260102 5mg / 10mg / 25mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: starshine_CAS77658-84-5
  • Purity/Analytical Methods: >99.0%
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77658-84-5 / N-[(3S)-2,6-dioxopiperidin-3-yl]-2-phenylacetamide

Standard CAS: 77658-84-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77658-84-5
Multi CAS
Yes
Molecular Formula
C13H14N2O3
Molecular Weight
246.260000
Exact Mass
246.100442
InChI
InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)
InChIKey
OQGRFQCUGLKSAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.46
TPSA
75.27

LogP / Solubility

WLOGP
0.15
MLOGP
0.14
XLogP3
0.4
Consensus LogP
0.23
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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