CAS RN: 477873-63-5
“3-(2-Glucosyloxy-4-Methoxyphenyl)propanoic 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.20250622 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS477873-63-5
- Purity/Analytical Methods: >99.0%
477873-63-5 / 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Basic Information
CAS
477873-63-5
Multi CAS
Yes
Molecular Formula
C16H22O9
Molecular Weight
358.340000
Exact Mass
358.126382
InChI
InChI=1S/C16H22O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2,4,6,11,13-17,20-22H,3,5,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1
InChIKey
LIVNOUBJFOXZOR-YMILTQATSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
5
Molar refractivity
83.35
TPSA
145.91
LogP / Solubility
WLOGP
-1.11
MLOGP
-0.96
XLogP3
-0.8
Consensus LogP
-0.96
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-5.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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