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CAS 28007-87-6 7-methyl-8-oxoguanosine molecular structure lightbox
CAS RN: 28007-87-6

7-methyl-8-oxoguanosine

  • Product code: SSC-128561
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28007-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

28007-87-6 / 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-purine-6,8-dione

Standard CAS: 28007-87-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28007-87-6
Multi CAS
Yes
Molecular Formula
C11H15N5O6
Molecular Weight
313.270000
Exact Mass
313.102233
InChI
InChI=1S/C11H15N5O6/c1-15-4-7(13-10(12)14-8(4)20)16(11(15)21)9-6(19)5(18)3(2-17)22-9/h3,5-6,9,17-19H,2H2,1H3,(H3,12,13,14,20)/t3-,5-,6-,9-/m1/s1
InChIKey
HPKQEMIXSLRGJU-UUOKFMHZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
10
H-bond donors
5
Molar refractivity
73.02
TPSA
168.62

LogP / Solubility

WLOGP
-3.38
MLOGP
-2.96
XLogP3
-3.4
Consensus LogP
-3.25
Log S (ESOL)
0.18
Class (ESOL)
Highly soluble
Log S (Ali)
0.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.87
Class (SILICOS-IT)
Highly 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)
-7.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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