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CAS 3868-36-8 8-Benzyloxyguanosine molecular structure lightbox
CAS RN: 3868-36-8

8-Benzyloxyguanosine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260404 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3868-36-8
  • Purity/Analytical Methods: >99.0%
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3868-36-8 / 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenylmethoxy-1H-purin-6-one

Standard CAS: 3868-36-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3868-36-8
Multi CAS
Yes
Molecular Formula
C17H19N5O6
Molecular Weight
389.400000
Exact Mass
389.133533
InChI
InChI=1S/C17H19N5O6/c18-16-20-13-10(14(26)21-16)19-17(27-7-8-4-2-1-3-5-8)22(13)15-12(25)11(24)9(6-23)28-15/h1-5,9,11-12,15,23-25H,6-7H2,(H3,18,20,21,26)
InChIKey
RNSGUQLXDMZREX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
96.34
TPSA
168.74

LogP / Solubility

WLOGP
-1.11
MLOGP
-0.95
XLogP3
-0.1
Consensus LogP
-0.72
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-5.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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