CAS RN: 28541-84-6
6-BROMO-2-NAPHTHYL-ALPHA-D-MANNOPYRANOSIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251010 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS28541-84-6
- Purity/Analytical Methods: >99.0%
28541-84-6 / (2S,3R,4S,5R,6R)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
28541-84-6
Multi CAS
Yes
Molecular Formula
C16H17BrO6
Molecular Weight
385.210000
Exact Mass
384.020850
InChI
InChI=1S/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13-,14+,15+,16+/m1/s1
InChIKey
NLRXQZJJCPRATR-OWYFMNJBSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
86.04
TPSA
99.38
LogP / Solubility
WLOGP
0.78
MLOGP
0.71
XLogP3
1.5
Consensus LogP
1
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-4.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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