CAS RN: 52579-97-2
1,6-ANHYDRO-3,4-O-ISOPROPYLIDENE-BETA-D-GALACTOPYRANOSE
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.20260426 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52579-97-2
- Purity/Analytical Methods: >99.0%
52579-97-2 / 4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
Basic Information
CAS
52579-97-2
Multi CAS
Yes
Molecular Formula
C9H14O5
Molecular Weight
202.200000
Exact Mass
202.084124
InChI
InChI=1S/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
InChIKey
IQSQTOWMVAKJTC-JAJWTYFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.44
TPSA
57.15
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.33
XLogP3
-0.6
Consensus LogP
-0.44
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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