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CAS 847670-62-6 N-ForMyl Valacyclovir molecular structure lightbox
CAS RN: 847670-62-6

N-ForMyl Valacyclovir

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS847670-62-6
  • Purity/Analytical Methods: >99.0%
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847670-62-6 / 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-formamido-3-methylbutanoate

Standard CAS: 847670-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847670-62-6
Multi CAS
Yes
Molecular Formula
C14H20N6O5
Molecular Weight
352.350000
Exact Mass
352.149518
InChI
InChI=1S/C14H20N6O5/c1-8(2)9(17-6-21)13(23)25-4-3-24-7-20-5-16-10-11(20)18-14(15)19-12(10)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,21)(H3,15,18,19,22)/t9-/m0/s1
InChIKey
AYGHYIMPMGWQND-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
87.3
TPSA
154.22

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.87
XLogP3
-0.6
Consensus LogP
-0.83
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
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)
-5.59

Drug-likeness / Medicinal Chemistry

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

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