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CAS 1236285-87-2 Diosbulbin L molecular structure lightbox
CAS RN: 1236285-87-2

Diosbulbin L

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1236285-87-2
  • Purity/Analytical Methods: >99.0%
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1236285-87-2 / (2S,4aS,6aS,7R,9R,10aR,10bS)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-1,2,4a,5,6a,7,8,9,10,10a-decahydrobenzo[f]isochromene-7-carboxylic acid

Standard CAS: 1236285-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1236285-87-2
Multi CAS
No
Molecular Formula
C19H22O7
Molecular Weight
362.400000
Exact Mass
362.136553
SMILES
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@H]3[C@H]2C[C@H](C[C@H]3C(=O)O)O)C4=COC=C4
InChI
InChI=1S/C19H22O7/c1-19-7-15(9-2-3-25-8-9)26-18(24)13(19)6-14(21)16-11(17(22)23)4-10(20)5-12(16)19/h2-3,8,10-13,15-16,20H,4-7H2,1H3,(H,22,23)/t10-,11+,12+,13+,15-,16+,19-/m0/s1
InChIKey
PESWLPIIHLYDJT-OXIVVSFQSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
86.73
TPSA
114.04

LogP / Solubility

WLOGP
1.95
MLOGP
1.74
XLogP3
0.6
Consensus LogP
1.43
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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