![CAS 461432-28-0 D-Glucopyranoside, Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/461432-28-0.gif)
CAS RN: 461432-28-0
D-Glucopyranoside, Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate
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.20250831 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS461432-28-0
- Purity/Analytical Methods: >99.0%
461432-28-0 / [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methoxyoxan-2-yl]methyl acetate
Basic Information
CAS
461432-28-0
Multi CAS
Yes
Molecular Formula
C30H35CLO11
Molecular Weight
607.000000
Exact Mass
606.186790
InChI
InChI=1S/C30H35ClO11/c1-7-37-24-11-8-21(9-12-24)14-22-15-23(10-13-25(22)31)30(36-6)29(41-20(5)35)28(40-19(4)34)27(39-18(3)33)26(42-30)16-38-17(2)32/h8-13,15,26-29H,7,14,16H2,1-6H3/t26-,27-,28+,29-,30?/m1/s1
InChIKey
MBPMRVCKHDMVOU-MPUKMYDRSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
11
H-bond acceptors
11
Molar refractivity
148.72
TPSA
132.89
LogP / Solubility
WLOGP
3.89
MLOGP
3.47
XLogP3
3.9
Consensus LogP
3.75
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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