CAS RN: 38229-78-6
4′-METHOXYPHENYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
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.20260615 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS38229-78-6
- Purity/Analytical Methods: >99.0%
38229-78-6 / N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
Basic Information
CAS
38229-78-6
Multi CAS
No
Molecular Formula
C15H21NO7
Molecular Weight
327.330000
Exact Mass
327.131802
InChI
InChI=1S/C15H21NO7/c1-8(18)16-12-14(20)13(19)11(7-17)23-15(12)22-10-5-3-9(21-2)4-6-10/h3-6,11-15,17,19-20H,7H2,1-2H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
InChIKey
NGFZIIDJPOHHOD-KJWHEZOQSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
78.99
TPSA
117.48
LogP / Solubility
WLOGP
-0.98
MLOGP
-0.85
XLogP3
-0.7
Consensus LogP
-0.84
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-5.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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