CAS RN: 649761-24-0
6-O-Benzyl-4-dehydroxy-4-diMethylphenylsilyl Entecavir
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.20251211 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS649761-24-0
- Purity/Analytical Methods: >99.0%
649761-24-0 / 2-amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-2-methylidene-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
Basic Information
CAS
649761-24-0
Multi CAS
Yes
Molecular Formula
C27H31N5O2Si
Molecular Weight
485.700000
Exact Mass
485.224702
InChI
InChI=1S/C27H31N5O2Si/c1-18-21(16-34-15-19-10-6-4-7-11-19)23(35(2,3)20-12-8-5-9-13-20)14-22(18)32-17-29-24-25(32)30-27(28)31-26(24)33/h4-13,17,21-23H,1,14-16H2,2-3H3,(H3,28,30,31,33)/t21-,22-,23-/m0/s1
InChIKey
LMLFXMXUWHGHSR-VABKMULXSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
142.25
TPSA
98.82
LogP / Solubility
WLOGP
4.02
MLOGP
3.57
XLogP3
4.02
Consensus LogP
3.87
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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