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CAS 82460-75-1 RABDOPHYLLIN G molecular structure lightbox
CAS RN: 82460-75-1

RABDOPHYLLIN G

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260430 1mg Out of stock Inquiry
  • Product code: starshine_CAS82460-75-1
  • Purity/Analytical Methods: >99.0%
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82460-75-1 / [11-hydroxy-8-(hydroxymethyl)-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate

Standard CAS: 82460-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82460-75-1
Multi CAS
Yes
Molecular Formula
C22H30O7
Molecular Weight
406.500000
Exact Mass
406.199153
InChI
InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h13-17,23,25H,1,5-10H2,2-4H3
InChIKey
OCELUFZNLBUKGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
101.34
TPSA
110.13

LogP / Solubility

WLOGP
1.4
MLOGP
1.26
XLogP3
1.6
Consensus LogP
1.42
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-4.2

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
9.5

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