CAS RN: 1187951-06-9
Diosbulbin J
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1187951-06-9
- Purity/Analytical Methods: >99.0%
1187951-06-9 / (2S,4aS,6aR,7R,9R,10aS,10bS)-2-(furan-3-yl)-6a,9-dihydroxy-10b-methyl-4,6-dioxo-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid
Diosbulbin J | orb1682745 | DTXSID301102620
Basic Information
CAS
1187951-06-9
Multi CAS
Yes
Molecular Formula
C19H22O8
Molecular Weight
378.400000
Exact Mass
378.131468
SMILES
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@]3([C@H]2C[C@H](C[C@H]3C(=O)O)O)O)C4=COC=C4
InChI
InChI=1S/C19H22O8/c1-18-7-13(9-2-3-26-8-9)27-17(24)12(18)6-15(21)19(25)11(16(22)23)4-10(20)5-14(18)19/h2-3,8,10-14,20,25H,4-7H2,1H3,(H,22,23)/t10-,11-,12+,13-,14-,18+,19-/m0/s1
InChIKey
VFBSFVHKKKXNHM-JFQAYLLPSA-N
Synonyms
Diosbulbin J
orb1682745
DTXSID301102620
AKOS032961681
FS-10201
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
88.19
TPSA
134.27
LogP / Solubility
WLOGP
1.07
MLOGP
0.96
XLogP3
0.4
Consensus LogP
0.81
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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