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CAS 81348-81-4 Momordioside F1 molecular structure lightbox
CAS RN: 81348-81-4

Momordioside F1

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS81348-81-4
  • Purity/Analytical Methods: >99.0%
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81348-81-4 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol

Standard CAS: 81348-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81348-81-4
Multi CAS
Yes
Molecular Formula
C37H60O8
Molecular Weight
632.900000
Exact Mass
632.428819
InChI
InChI=1S/C37H60O8/c1-22(10-9-15-32(2,3)42-8)23-13-16-35(7)25-14-17-37-26(36(25,21-43-37)19-18-34(23,35)6)11-12-27(33(37,4)5)45-31-30(41)29(40)28(39)24(20-38)44-31/h9,14-15,17,22-31,38-41H,10-13,16,18-21H2,1-8H3/b15-9+/t22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,34-,35+,36+,37-/m1/s1
InChIKey
MQGABSJZVJOSCX-IYZDVQGMSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.89
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
171.07
TPSA
117.84

LogP / Solubility

WLOGP
4.77
MLOGP
4.25
XLogP3
5.1
Consensus LogP
4.71
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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