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CAS 6792-09-2 Mesaconine molecular structure lightbox
CAS RN: 6792-09-2

Mesaconine

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 5mg In stock Shanghai Inquiry
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Batchno.20250128 10mg Out of stock Inquiry
Batchno.20250714 5mg Out of stock Inquiry
  • Product code: starshine_CAS6792-09-2
  • Purity/Analytical Methods: >99.0%
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6792-09-2 / (2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol

Standard CAS: 6792-09-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6792-09-2
Multi CAS
Yes
Molecular Formula
C24H39NO9
Molecular Weight
485.600000
Exact Mass
485.262482
InChI
InChI=1S/C24H39NO9/c1-25-8-21(9-31-2)11(26)6-12(32-3)23-10-7-22(29)18(27)13(10)24(30,19(28)20(22)34-5)14(17(23)25)15(33-4)16(21)23/h10-20,26-30H,6-9H2,1-5H3
InChIKey
GQRPJUIKGLHLLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
116.67
TPSA
141.31

LogP / Solubility

WLOGP
-2.18
MLOGP
-1.88
XLogP3
-2.9
Consensus LogP
-2.32
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-7.23

Drug-likeness / Medicinal Chemistry

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

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