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CAS 59979-57-6 Tagitinin F molecular structure lightbox
CAS RN: 59979-57-6

Tagitinin F

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS59979-57-6
  • Purity/Analytical Methods: >99.0%
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59979-57-6 / [(1R,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate

Standard CAS: 59979-57-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59979-57-6
Multi CAS
Yes
Molecular Formula
C19H24O6
Molecular Weight
348.400000
Exact Mass
348.157288
InChI
InChI=1S/C19H24O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h6-8,10,13-15,22H,4,9H2,1-3,5H3/b11-8-/t13-,14-,15+,18+,19-/m1/s1
InChIKey
XJUPOHKZSDZNBE-QDHYIOMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
89.18
TPSA
82.06

LogP / Solubility

WLOGP
2.04
MLOGP
1.81
XLogP3
1.7
Consensus LogP
1.85
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8.5

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