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CAS 194159-18-7 Ganciclovir Monoproprionate molecular structure lightbox
CAS RN: 194159-18-7

Ganciclovir Monoproprionate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250409 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS194159-18-7
  • Purity/Analytical Methods: >99.0%
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194159-18-7 / [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] propanoate

Standard CAS: 194159-18-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
194159-18-7
Multi CAS
No
Molecular Formula
C12H17N5O5
Molecular Weight
311.290000
Exact Mass
311.122969
SMILES
CCC(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C12H17N5O5/c1-2-8(19)21-4-7(3-18)22-6-17-5-14-9-10(17)15-12(13)16-11(9)20/h5,7,18H,2-4,6H2,1H3,(H3,13,15,16,20)
InChIKey
WWWAJZGPKYMTAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
3
Molar refractivity
75.77
TPSA
145.35

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.88
XLogP3
-1.5
Consensus LogP
-1.13
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-5.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]
Precautionary Statement Codes
P203, P260, P263, P264, P270, P280, P318, P405, and P501

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