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CAS 945721-10-8 7-O-ethyl-Morroniside molecular structure lightbox
CAS RN: 945721-10-8

7-O-ethyl-Morroniside

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 1mg / 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 10mg Out of stock Inquiry
  • Product code: starshine_CAS945721-10-8
  • Purity/Analytical Methods: >99.0%
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945721-10-8 / methyl 3-ethoxy-1-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

Standard CAS: 945721-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
945721-10-8
Multi CAS
Yes
Molecular Formula
C19H30O11
Molecular Weight
434.400000
Exact Mass
434.178812
InChI
InChI=1S/C19H30O11/c1-4-26-12-5-9-10(17(24)25-3)7-27-18(13(9)8(2)28-12)30-19-16(23)15(22)14(21)11(6-20)29-19/h7-9,11-16,18-23H,4-6H2,1-3H3/t8-,9+,11+,12+,13+,14+,15-,16+,18-,19-/m0/s1
InChIKey
IRKFOLIBBQDADK-LEYKIWRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.84
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
4
Molar refractivity
97.38
TPSA
153.37

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.19
XLogP3
-0.9
Consensus LogP
-1.16
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-6.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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