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CAS 1432063-63-2 6-O-Acetylcoriatin molecular structure lightbox
CAS RN: 1432063-63-2

6-O-Acetylcoriatin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1432063-63-2
  • Purity/Analytical Methods: >99.0%
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1432063-63-2 / [12-(2-hydroxypropan-2-yl)-7-methyl-11-oxospiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-2-yl] acetate

Standard CAS: 1432063-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1432063-63-2
Multi CAS
No
Molecular Formula
C17H22O7
Molecular Weight
338.400000
Exact Mass
338.136553
SMILES
CC(=O)OC12C3C(C(CC1(C4(CO4)C5C2O5)C)OC3=O)C(C)(C)O
InChI
InChI=1S/C17H22O7/c1-7(18)24-17-10-9(14(2,3)20)8(22-13(10)19)5-15(17,4)16(6-21-16)11-12(17)23-11/h8-12,20H,5-6H2,1-4H3
InChIKey
RCDCUCSJAPPGHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
77.72
TPSA
97.89

LogP / Solubility

WLOGP
0.18
MLOGP
0.17
XLogP3
-0.3
Consensus LogP
0.02
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble

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
No
Log Kp (skin permeation)
-4.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10

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