CAS RN: 947175-17-9
6-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
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.20250926 | 10mg / 25mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS947175-17-9
- Purity/Analytical Methods: >99.0%
947175-17-9 / (2S,3S,4S,5R,6S)-6-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Basic Information
CAS
947175-17-9
Multi CAS
Yes
Molecular Formula
C16H15CLO9
Molecular Weight
386.700000
Exact Mass
386.040460
InChI
InChI=1S/C16H15ClO9/c1-5-2-10(18)24-8-4-9(7(17)3-6(5)8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-4,11-14,16,19-21H,1H3,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
InChIKey
XDHZEATXDFGBFI-JHZZJYKESA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
87.18
TPSA
146.66
LogP / Solubility
WLOGP
0.03
MLOGP
0.05
XLogP3
0.5
Consensus LogP
0.19
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-5.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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