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CAS 134790-39-9 2′,2′-Difluoro-2′-deoxycytidine-3′,5′-dibenzoate molecular structure lightbox
CAS RN: 134790-39-9

2′,2′-Difluoro-2′-deoxycytidine-3′,5′-dibenzoate

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 100g In stock Inquiry
Batchno.20251124 100mg In stock Inquiry
Batchno.20250227 1g In stock Inquiry
Batchno.20250827 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250508 25g In stock Inquiry
Batchno.20250502 5g In stock Inquiry
  • Product code: SSC-042684
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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 134790-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

134790-39-9 / [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate

Standard CAS: 134790-39-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134790-39-9
Multi CAS
No
Molecular Formula
C23H19F2N3O6
Molecular Weight
471.400000
Exact Mass
471.124192
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C([C@@H](O2)N3C=CC(=NC3=O)N)(F)F)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H19F2N3O6/c24-23(25)18(34-20(30)15-9-5-2-6-10-15)16(13-32-19(29)14-7-3-1-4-8-14)33-21(23)28-12-11-17(26)27-22(28)31/h1-12,16,18,21H,13H2,(H2,26,27,31)/t16-,18-,21-/m1/s1
InChIKey
ZPUUYUUQQGBHBU-HGHGUNKESA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
114.14
TPSA
122.74

LogP / Solubility

WLOGP
2.44
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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