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CAS 124265-89-0 OMaciclovir molecular structure lightbox
CAS RN: 124265-89-0

OMaciclovir

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS124265-89-0
  • Purity/Analytical Methods: >99.0%
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124265-89-0 / 2-amino-9-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-1H-purin-6-one

Standard CAS: 124265-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124265-89-0
Multi CAS
No
Molecular Formula
C10H15N5O3
Molecular Weight
253.260000
Exact Mass
253.117489
SMILES
C1=NC2=C(N1C[C@@H](CCO)CO)N=C(NC2=O)N
InChI
InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)3-6(4-17)1-2-16/h5-6,16-17H,1-4H2,(H3,11,13,14,18)/t6-/m1/s1
InChIKey
SCBFBAWJWLXVHS-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
64.84
TPSA
130.05

LogP / Solubility

WLOGP
-1.31
MLOGP
-1.14
XLogP3
-1.9
Consensus LogP
-1.45
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-5.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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