CAS RN: 478314-67-9
4-Hydroxymethylphenol 1-O-rhamnoside
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.20260328 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS478314-67-9
- Purity/Analytical Methods: >99.0%
478314-67-9 / (2S,3R,4R,5R,6S)-2-[4-(hydroxymethyl)phenoxy]-6-methyloxane-3,4,5-triol
Basic Information
CAS
478314-67-9
Multi CAS
Yes
Molecular Formula
C13H18O6
Molecular Weight
270.280000
Exact Mass
270.110338
InChI
InChI=1S/C13H18O6/c1-7-10(15)11(16)12(17)13(18-7)19-9-4-2-8(6-14)3-5-9/h2-5,7,10-17H,6H2,1H3/t7-,10-,11+,12+,13-/m0/s1
InChIKey
VKJJAXLYSFNXBM-HPMQQCADSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
65.35
TPSA
99.38
LogP / Solubility
WLOGP
-0.61
MLOGP
-0.53
XLogP3
-0.3
Consensus LogP
-0.48
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-4.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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