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CAS 847835-17-0 Tasumatrol L molecular structure lightbox
CAS RN: 847835-17-0

Tasumatrol L

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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_CAS847835-17-0
  • Purity/Analytical Methods: >99.0%
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847835-17-0 / [(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,13S,15S)-3,4,6,11-tetraacetyloxy-2,8-dihydroxy-13-(hydroxymethyl)-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate

Standard CAS: 847835-17-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847835-17-0
Multi CAS
Yes
Molecular Formula
C36H44O15
Molecular Weight
716.700000
Exact Mass
716.268021
InChI
InChI=1S/C36H44O15/c1-17-24(42)13-25(48-18(2)38)35(16-46-32(44)22-11-9-8-10-12-22)26(17)28(49-19(3)39)27-23(14-37)29(43)34(7)36(45,33(27,6)15-47-34)31(51-21(5)41)30(35)50-20(4)40/h8-12,23-28,30-31,37,42,45H,1,13-16H2,2-7H3/t23-,24+,25+,26+,27+,28+,30+,31+,33+,34-,35-,36+/m1/s1
InChIKey
ZFXSJZPTCKIFHG-CXFIUYFASA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
8
H-bond acceptors
15
H-bond donors
3
Molar refractivity
171.11
TPSA
218.49

LogP / Solubility

WLOGP
0.84
MLOGP
0.8
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly 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)
-6.5

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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