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CAS 237407-59-9 Rivulobirin E molecular structure lightbox
CAS RN: 237407-59-9

Rivulobirin E

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS237407-59-9
  • Purity/Analytical Methods: >99.0%
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237407-59-9 / 9-[(2R)-2-hydroxy-3-[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

Standard CAS: 237407-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
237407-59-9
Multi CAS
No
Molecular Formula
C32H30O11
Molecular Weight
590.600000
Exact Mass
590.178812
SMILES
CC(C)([C@@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O[C@H](COC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5)C(C)(C)O
InChI
InChI=1S/C32H30O11/c1-31(2,36)22(16-40-30-26-20(10-12-38-26)14-18-6-8-24(35)42-28(18)30)43-32(3,4)21(33)15-39-29-25-19(9-11-37-25)13-17-5-7-23(34)41-27(17)29/h5-14,21-22,33,36H,15-16H2,1-4H3/t21-,22-/m1/s1
InChIKey
OIZNBPDWHFCLKY-FGZHOGPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
26
Fraction Csp3
0.31
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
2
Molar refractivity
156.76
TPSA
154.85

LogP / Solubility

WLOGP
5.15
MLOGP
4.57
XLogP3
4.2
Consensus LogP
4.64
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67

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
6.5

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