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CAS RN: 1356354-05-6
O-Acetyl N-Benzyloxycarbonyl Valganciclovir-d5
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.20250115 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1356354-05-6
- Purity/Analytical Methods: >99.0%
1356354-05-6 / [3-acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,3,3-pentadeuteriopropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Basic Information
CAS
1356354-05-6
Multi CAS
No
Molecular Formula
C24H30N6O8
Molecular Weight
535.600000
Exact Mass
535.243896
SMILES
[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2N=C(NC3=O)N)OC(=O)C
InChI
InChI=1S/C24H30N6O8/c1-14(2)18(27-24(34)37-9-16-7-5-4-6-8-16)22(33)36-11-17(10-35-15(3)31)38-13-30-12-26-19-20(30)28-23(25)29-21(19)32/h4-8,12,14,17-18H,9-11,13H2,1-3H3,(H,27,34)(H3,25,28,29,32)/t17?,18-/m0/s1/i10D2,11D2,17D
InChIKey
MPEPPXVLNHJWMG-YSZZYQCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
3
Molar refractivity
133.41
TPSA
189.75
LogP / Solubility
WLOGP
1.1
MLOGP
1.01
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.17
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
5
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