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CAS 19916-77-9 N2-METHYL-2′-DEOXYGUANOSINE molecular structure lightbox
CAS RN: 19916-77-9

N2-METHYL-2′-DEOXYGUANOSINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250125 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19916-77-9
  • Purity/Analytical Methods: >99.0%
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19916-77-9 / 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-1H-purin-6-one

Standard CAS: 19916-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19916-77-9
Multi CAS
No
Molecular Formula
C11H15N5O4
Molecular Weight
281.270000
Exact Mass
281.112404
SMILES
CNC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C11H15N5O4/c1-12-11-14-9-8(10(19)15-11)13-4-16(9)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15,19)/t5-,6+,7+/m0/s1
InChIKey
XEZUVZDXOQPEKT-RRKCRQDMSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
69.32
TPSA
125.29

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.04
XLogP3
-0.5
Consensus LogP
-0.91
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-5.29

Drug-likeness / Medicinal Chemistry

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

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