CAS RN: 3554-96-9
Benzyl 2-AcetaMido-2-deoxy-3-O-(β-D-galactopyranosyl) α-D-galactopyranoside
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.20251123 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3554-96-9
- Purity/Analytical Methods: >99.0%
3554-96-9 / N-[5-hydroxy-6-(hydroxymethyl)-2-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Basic Information
CAS
3554-96-9
Multi CAS
Yes
Molecular Formula
C21H31NO11
Molecular Weight
473.500000
Exact Mass
473.189711
InChI
InChI=1S/C21H31NO11/c1-10(25)22-14-19(33-21-18(29)17(28)15(26)12(7-23)32-21)16(27)13(8-24)31-20(14)30-9-11-5-3-2-4-6-11/h2-6,12-21,23-24,26-29H,7-9H2,1H3,(H,22,25)/t12-,13-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1
InChIKey
MYDRTQFLXCNCAG-YOADDMFFSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
7
Molar refractivity
109.23
TPSA
187.4
LogP / Solubility
WLOGP
-3.03
MLOGP
-2.63
XLogP3
-2.3
Consensus LogP
-2.65
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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H-LYS(4-NITRO-Z)-OH
- CAS RN: 3557-90-2
- Product Code: starshine_CAS3557-90-2
- Purity/Analytical method: >99.0%
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