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CAS 175865-59-5 Valganciclovir Hydrochloride molecular structure lightbox
CAS RN: 175865-59-5

Valganciclovir Hydrochloride

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 100mg In stock Shanghai Inquiry
Batchno.20250615 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20251110 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250618 25g In stock Wuhan, Chengdu Inquiry
Batchno.20250119 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250710 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTV0158
  • Purity/Analytical Methods: >98.0%(T)
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175865-59-5 / [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate;hydrochloride

Standard CAS: 175865-59-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175865-59-5
Multi CAS
No
Molecular Formula
C14H23ClN6O5
Molecular Weight
390.820000
Exact Mass
390.141846
SMILES
CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N.Cl
InChI
InChI=1S/C14H22N6O5.ClH/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22;/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22);1H/t8?,9-;/m0./s1
InChIKey
ZORWARFPXPVJLW-MTFPJWTKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
4
Molar refractivity
95.54
TPSA
171.37

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.87
XLogP3
-1.01
Consensus LogP
-0.96
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-5.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity] H350 (77.8%): May cause cancer [Danger Carcinogenicity] H351 (22.2%): Suspected of causing cancer [Warning Carcinogenicity] H360 (88.9%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360FD (11.1%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P318, P319, P405, and P501

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