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CAS 1346747-69-0 Valaciclovir iMpurity D molecular structure lightbox
CAS RN: 1346747-69-0

Valaciclovir iMpurity D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 25mg / 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1346747-69-0
  • Purity/Analytical Methods: >99.0%
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1346747-69-0 / 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-(ethylamino)-3-methylbutanoate

Standard CAS: 1346747-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346747-69-0
Multi CAS
No
Molecular Formula
C15H24N6O4
Molecular Weight
352.390000
Exact Mass
352.185903
SMILES
CCN[C@@H](C(C)C)C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C15H24N6O4/c1-4-17-10(9(2)3)14(23)25-6-5-24-8-21-7-18-11-12(21)19-15(16)20-13(11)22/h7,9-10,17H,4-6,8H2,1-3H3,(H3,16,19,20,22)/t10-/m0/s1
InChIKey
OKUHBUGXDSIJIM-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
91.77
TPSA
137.15

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.11
Consensus LogP
-0.09
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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