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CAS 509-18-2 delsoline molecular structure lightbox
CAS RN: 509-18-2

delsoline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 20mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS509-18-2
  • Purity/Analytical Methods: >99.0%
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509-18-2 / 11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

Standard CAS: 509-18-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
509-18-2
Multi CAS
Yes
Molecular Formula
C25H41NO7
Molecular Weight
467.600000
Exact Mass
467.288303
InChI
InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20+,21+,22+,23-,24+,25-/m1/s1
InChIKey
JVBLTQQBEQQLEV-LPHVGPHASA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
118.5
TPSA
100.85

LogP / Solubility

WLOGP
0.27
MLOGP
0.27
XLogP3
-0.6
Consensus LogP
-0.02
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.38

Drug-likeness / Medicinal Chemistry

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

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