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CAS 1093101-52-0 6-(2-Fluoropyridin-3-Yl)-9-(Tetrahydro-2H-Pyran-2-Yl)-9H-Purine molecular structure lightbox
CAS RN: 1093101-52-0

6-(2-Fluoropyridin-3-Yl)-9-(Tetrahydro-2H-Pyran-2-Yl)-9H-Purine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-010570
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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 1093101-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1093101-52-0 / 6-(2-fluoro-3-pyridinyl)-9-(oxan-2-yl)purine

6-(2-FLUOROPYRIDIN-3-YL)-9-(TETRAHYDRO-2H-PYRAN-2-YL)-9H-PURINE | MFCD28402162 | 6-(2-fluoropyridin-3-yl)-9-(oxan-2-yl)-9H-purine

Standard CAS: 1093101-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093101-52-0
Multi CAS
No
Molecular Formula
C15H14FN5O
Molecular Weight
299.300000
Exact Mass
299.118238
SMILES
C1CCOC(C1)N2C=NC3=C(N=CN=C32)C4=C(N=CC=C4)F
InChI
InChI=1S/C15H14FN5O/c16-14-10(4-3-6-17-14)12-13-15(19-8-18-12)21(9-20-13)11-5-1-2-7-22-11/h3-4,6,8-9,11H,1-2,5,7H2
InChIKey
PCYYHGNCPXKVGI-UHFFFAOYSA-N
Synonyms
6-(2-FLUOROPYRIDIN-3-YL)-9-(TETRAHYDRO-2H-PYRAN-2-YL)-9H-PURINE MFCD28402162 6-(2-fluoropyridin-3-yl)-9-(oxan-2-yl)-9H-purine 6-(2-fluoropyridin-3-yl)-9-(oxan-2-yl)purine C15H14FN5O

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
77.35
TPSA
65.72

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
1.8
Consensus LogP
2.31
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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