CAS RN: 2254096-95-0
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2254096-95-0
- Purity/Analytical Methods: >99.0%
2254096-95-0 / (3S)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
Basic Information
CAS
2254096-95-0
Multi CAS
No
Molecular Formula
C26H34O14
Molecular Weight
570.500000
Exact Mass
570.194856
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O)(C)C)O
InChI
InChI=1S/95Tb
InChIKey
BJLXOFSAOIBSQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
10
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
7
Molar refractivity
132.59
TPSA
217.97
LogP / Solubility
WLOGP
-1.83
MLOGP
-1.57
XLogP3
-1.2
Consensus LogP
-1.53
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
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