CAS RN: 13042-38-1
1,4:3,6-dianhydro-D-glucitol diacetate
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.20260610 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13042-38-1
- Purity/Analytical Methods: >99.0%
13042-38-1 / [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
Basic Information
CAS
13042-38-1
Multi CAS
No
Molecular Formula
C10H14O6
Molecular Weight
230.210000
Exact Mass
230.079038
SMILES
CC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)C
InChI
InChI=1S/C10H14O6/c1-5(11)15-7-3-13-10-8(16-6(2)12)4-14-9(7)10/h7-10H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKey
NEZQWZBCEHOWJS-UTINFBMNSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
50.59
TPSA
71.06
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
0.5
Consensus LogP
-0.05
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
HEPTANEDIOIC ACID DIHYDRAZIDE
- CAS RN: 13043-98-6
- Product Code: starshine_CAS13043-98-6
- Purity/Analytical method: >99.0%
-
-
-
-
-
