CAS RN: 16741-27-8
ACETOBROMOFUCOSE
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.20250914 | 2.5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16741-27-8
- Purity/Analytical Methods: >99.0%
16741-27-8 / [(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-bromo-2-methyloxan-3-yl] acetate
Basic Information
CAS
16741-27-8
Multi CAS
No
Molecular Formula
C12H17BrO7
Molecular Weight
353.160000
Exact Mass
352.015770
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H17BrO7/c1-5-9(18-6(2)14)10(19-7(3)15)11(12(13)17-5)20-8(4)16/h5,9-12H,1-4H3/t5-,9+,10+,11-,12+/m0/s1
InChIKey
XUZQAPSYNYIKSR-BSOOIWJMSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
69.92
TPSA
88.13
LogP / Solubility
WLOGP
0.92
MLOGP
0.83
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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- CAS RN: 16748-29-1
- Product Code: starshine_CAS16748-29-1
- Purity/Analytical method: >99.0%
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