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CAS 103882-87-7 2′-Deoxy-2′,2′-difluoroguanosine molecular structure lightbox
CAS RN: 103882-87-7

2′-Deoxy-2′,2′-difluoroguanosine

  • Product code: SSC-005530
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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: 0.25g
  • 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 103882-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

103882-87-7 / 2-amino-9-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Standard CAS: 103882-87-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103882-87-7
Multi CAS
Yes
Molecular Formula
C10H11F2N5O4
Molecular Weight
303.220000
Exact Mass
303.077910
SMILES
C1=NC2=C(N1[C@H]3C([C@@H]([C@H](O3)CO)O)(F)F)N=C(NC2=O)N
InChI
InChI=1S/C10H11F2N5O4/c11-10(12)5(19)3(1-18)21-8(10)17-2-14-4-6(17)15-9(13)16-7(4)20/h2-3,5,8,18-19H,1H2,(H3,13,15,16,20)/t3-,5-,8-/m1/s1
InChIKey
RQIYMUKKPIEAMB-TWOGKDBTSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
64.51
TPSA
139.28

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.23
XLogP3
-0.6
Consensus LogP
-1.08
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.7
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)
-5.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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