CAS RN: 1580464-83-0
Coreoside B
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.20260129 | 1mg / 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1580464-83-0
- Purity/Analytical Methods: >99.0%
1580464-83-0 / (2S,3R,4S,5S)-2-[(2R,3R,4S,5S,6R)-2-[(6E,12E)-1,14-dihydroxytetradeca-6,12-dien-8,10-diyn-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Basic Information
CAS
1580464-83-0
Multi CAS
No
Molecular Formula
C25H36O12
Molecular Weight
528.500000
Exact Mass
528.220677
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(CC/C=C/C#CC#C/C=C/CO)CCO)CO)O)O)O)O)O
InChI
InChI=1S/C25H36O12/c26-12-9-7-5-3-1-2-4-6-8-10-16(11-13-27)35-25-23(21(32)20(31)18(14-28)36-25)37-24-22(33)19(30)17(29)15-34-24/h4,6-7,9,16-33H,8,10-15H2/b6-4+,9-7+/t16?,17-,18+,19-,20+,21-,22+,23+,24-,25+/m0/s1
InChIKey
DJUIHAHXAHDXGQ-PABXJNOPSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.68
Rotatable bonds
11
H-bond acceptors
12
H-bond donors
8
Molar refractivity
127.12
TPSA
198.76
LogP / Solubility
WLOGP
-3.09
MLOGP
-2.68
XLogP3
-2
Consensus LogP
-2.59
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-8.14
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
9
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