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CAS 1141397-80-9 (R)-1-((2R, 4R, SR)-3,3-difluoro-4-hydroxy (hydroxymethyl) tetrahydrofuran-2-yl)-4-hydroxytetrahydropyrimidin-2(1H)-one molecular structure lightbox
CAS RN: 1141397-80-9

(R)-1-((2R, 4R, SR)-3,3-difluoro-4-hydroxy (hydroxymethyl) tetrahydrofuran-2-yl)-4-hydroxytetrahydropyrimidin-2(1H)-one

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 100mg In stock Shanghai Inquiry
Batchno.20260408 250mg In stock Shanghai Inquiry
Batchno.20250627 25mg In stock Shanghai Inquiry
Batchno.20260128 50mg In stock Shanghai Inquiry
  • Product code: SSC-014010
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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 1141397-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1141397-80-9 / (4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one

Cedazuridine | Cedazuridina | E7727

Standard CAS: 1141397-80-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1141397-80-9
Multi CAS
Yes
Molecular Formula
C9H14F2N2O5
Molecular Weight
268.210000
Exact Mass
268.087078
SMILES
C1CN(C(=O)N[C@@H]1O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
InChI
InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1
InChIKey
VUDZSIYXZUYWSC-DBRKOABJSA-N
Synonyms
Cedazuridine Cedazuridina E7727 (4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one 39IS23Q1EW

Physical Properties

Melting Point
162-165

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
52.56
TPSA
102.26

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.37
XLogP3
-1.1
Consensus LogP
-1.35
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
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)
-5.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P271, P280, P301+P317, P304+P340, P317, P318, P319, P330, P405, and P501

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