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CAS 350689-78-0 rathbunioside R1 molecular structure lightbox
CAS RN: 350689-78-0

rathbunioside R1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS350689-78-0
  • Purity/Analytical Methods: >99.0%
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350689-78-0 / (2S,3R,4S,5R)-2-[(3S,6R)-2-methyl-6-[(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-3,6,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl]oxyoxane-3,4,5-triol

Standard CAS: 350689-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
350689-78-0
Multi CAS
Yes
Molecular Formula
C32H56O8
Molecular Weight
568.800000
Exact Mass
568.397519
InChI
InChI=1S/C32H56O8/c1-16(2)26(40-30-29(38)28(37)25(36)15-39-30)7-6-17(3)21-14-24(35)27-19-13-23(34)22-12-18(33)8-10-31(22,4)20(19)9-11-32(21,27)5/h16-30,33-38H,6-15H2,1-5H3/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32-/m1/s1
InChIKey
WRGWWNXPGRAMSC-CJSYLMLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
6
Molar refractivity
149.87
TPSA
139.84

LogP / Solubility

WLOGP
2.84
MLOGP
2.55
XLogP3
3.6
Consensus LogP
3
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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