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CAS 20086-07-1 Diosbulbin C molecular structure lightbox
CAS RN: 20086-07-1

Diosbulbin C

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS20086-07-1
  • Purity/Analytical Methods: >99.0%
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20086-07-1 / 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid

Standard CAS: 20086-07-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
20086-07-1
Multi CAS
No
Molecular Formula
C19H22O7
Molecular Weight
362.400000
Exact Mass
362.136553
SMILES
CC12CC(OC13CC(C4C2CC(CC4C(=O)O)O)OC3=O)C5=COC=C5
InChI
InChI=1S/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)/t10-,11+,12+,13+,14-,15+,18-,19?/m0/s1
InChIKey
UYALWPKCIMKALF-XBHMPIGQSA-N

Physical Properties

Melting Point
247 - 250 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.68
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
85.83
TPSA
106.2

LogP / Solubility

WLOGP
1.9
MLOGP
1.69
XLogP3
1.1
Consensus LogP
1.56
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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