CAS RN: 168427-35-8
1-Methyl-3,5-bis-O-(2,4-dichlorobenzyl)-alpha-D-ribofuranoside
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.20250318 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS168427-35-8
- Purity/Analytical Methods: >99.0%
168427-35-8 / (2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol
Basic Information
CAS
168427-35-8
Multi CAS
No
Molecular Formula
C20H20Cl4O5
Molecular Weight
482.200000
Exact Mass
482.003534
SMILES
CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COCC2=C(C=C(C=C2)Cl)Cl)OCC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H20Cl4O5/c1-26-20-18(25)19(28-9-12-3-5-14(22)7-16(12)24)17(29-20)10-27-8-11-2-4-13(21)6-15(11)23/h2-7,17-20,25H,8-10H2,1H3
InChIKey
BISWEUXISBNCCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
112.83
TPSA
57.15
LogP / Solubility
WLOGP
5.13
MLOGP
4.55
XLogP3
4.6
Consensus LogP
4.76
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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