[email protected]
CAS 1346747-65-6 Valaciclovir Ep Impurity C molecular structure lightbox
CAS RN: 1346747-65-6

Valaciclovir Ep Impurity C

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1346747-65-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1346747-65-6 / 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-(methylamino)butanoate

Standard CAS: 1346747-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346747-65-6
Multi CAS
No
Molecular Formula
C14H22N6O4
Molecular Weight
338.360000
Exact Mass
338.170253
SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NC
InChI
InChI=1S/C14H22N6O4/c1-8(2)9(16-3)13(22)24-5-4-23-7-20-6-17-10-11(20)18-14(15)19-12(10)21/h6,8-9,16H,4-5,7H2,1-3H3,(H3,15,18,19,21)/t9-/m0/s1
InChIKey
LAVQFSIULWJNGD-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
3
Molar refractivity
87.16
TPSA
137.15

LogP / Solubility

WLOGP
-0.54
MLOGP
-0.46
XLogP3
-0.4
Consensus LogP
-0.47
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.37
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)
-5.17

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us