CAS RN: 27856-54-8
Lamiide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251115 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS27856-54-8
- Purity/Analytical Methods: >99.0%
27856-54-8 / methyl 4a,6,7-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Basic Information
CAS
27856-54-8
Multi CAS
Yes
Molecular Formula
C17H26O12
Molecular Weight
422.400000
Exact Mass
422.142426
InChI
InChI=1S/C17H26O12/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8?,9-,10+,11-,12?,14+,15?,16?,17?/m1/s1
InChIKey
VFYACENSDOLJGQ-HBCRMSGQSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
7
Molar refractivity
89.51
TPSA
195.6
LogP / Solubility
WLOGP
-3.92
MLOGP
-3.42
XLogP3
-3.1
Consensus LogP
-3.48
Log S (ESOL)
0.28
Class (ESOL)
Highly soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly 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)
-8.08
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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- CAS RN: 27860-83-9
- Product Code: starshine_CAS27860-83-9
- Purity/Analytical method: >99.0%
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