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CAS 51022-69-6 AMCINONIDE molecular structure lightbox
CAS RN: 51022-69-6

AMCINONIDE

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 50mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
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Batchno.20250629 1ml In stock Inquiry
  • Product code: starshine_CAS51022-69-6
  • Purity/Analytical Methods: >99.0%
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51022-69-6 / [2-(12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl)-2-oxoethyl] acetate

Standard CAS: 51022-69-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51022-69-6
Multi CAS
Yes
Molecular Formula
C28FH35O7
Molecular Weight
502.600000
Exact Mass
502.236682
InChI
InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1
InChIKey
ILKJAFIWWBXGDU-MOGDOJJUSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
125.27
TPSA
99.13

LogP / Solubility

WLOGP
3.52
MLOGP
3.14
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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