CAS RN: 100462-37-1
ROSIRIDIN
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7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250924 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250308 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251210 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250111 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250415 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260211 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS100462-37-1
- Purity/Analytical Methods: >99.0%
100462-37-1 / (2R,3R,4S,5S,6R)-2-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | C16H28O7 | SCHEMBL28666779
Basic Information
CAS
100462-37-1
Multi CAS
Yes
Molecular Formula
C16H28O7
Molecular Weight
332.390000
Exact Mass
332.183503
SMILES
CC(=CC[C@@H](/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)O)C
InChI
InChI=1S/C16H28O7/c1-9(2)4-5-11(18)10(3)6-7-22-16-15(21)14(20)13(19)12(8-17)23-16/h4,6,11-21H,5,7-8H2,1-3H3/b10-6+/t11-,12+,13+,14-,15+,16+/m0/s1
InChIKey
PBPYEEMQIFDGSQ-MOIFMYGASA-N
Synonyms
(2R,3R,4S,5S,6R)-2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C16H28O7
SCHEMBL28666779
DTXSID80438024
CHEBI:183760
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
5
Molar refractivity
83.53
TPSA
119.61
LogP / Solubility
WLOGP
-0.53
MLOGP
-0.45
XLogP3
0.1
Consensus LogP
-0.29
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-5.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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