CAS RN: 349477-49-2
CYMAL-7 SOL GRADE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251030 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS349477-49-2
- Purity/Analytical Methods: >99.0%
349477-49-2 / (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
349477-49-2
Multi CAS
Yes
Molecular Formula
C25H46O11
Molecular Weight
522.600000
Exact Mass
522.304012
InChI
InChI=1S/C25H46O11/c26-13-16-18(28)19(29)21(31)25(34-16)36-23-17(14-27)35-24(22(32)20(23)30)33-12-8-3-1-2-5-9-15-10-6-4-7-11-15/h15-32H,1-14H2/t16-,17-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1
InChIKey
BEKAVONQUWHNMM-IYBATYGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
11
H-bond donors
7
Molar refractivity
126.63
TPSA
178.53
LogP / Solubility
WLOGP
-0.45
MLOGP
-0.36
XLogP3
1.4
Consensus LogP
0.2
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-6.23
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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