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CAS 84633-34-1 Shatavarin IV molecular structure lightbox
CAS RN: 84633-34-1

Shatavarin IV

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Batchno.20250424 1mg Out of stock Inquiry
Batchno.20260328 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS84633-34-1
  • Purity/Analytical Methods: >99.0%
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84633-34-1 / 2-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 84633-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84633-34-1
Multi CAS
Yes
Molecular Formula
C45H74O17
Molecular Weight
887.100000
Exact Mass
886.492601
InChI
InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1
InChIKey
BCUDKRWNGQAFLF-PJFZGHSASA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
9
Molar refractivity
214.21
TPSA
255.91

LogP / Solubility

WLOGP
0.29
MLOGP
0.34
XLogP3
1.7
Consensus LogP
0.78
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.63
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
No
Log Kp (skin permeation)
-7.92

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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