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CAS 1686124-74-2 Cytidine, 2′,3′-O-(1-methylethylidene)-, 5′-(2-methylpropanoate) molecular structure lightbox
CAS RN: 1686124-74-2

Cytidine, 2′,3′-O-(1-methylethylidene)-, 5′-(2-methylpropanoate)

  • Product code: SSC-073458
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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 1686124-74-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1686124-74-2 / [(3aR,4R,6R,6aR)-4-(4-amino-2-oxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate

Standard CAS: 1686124-74-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1686124-74-2
Multi CAS
No
Molecular Formula
C16H23N3O6
Molecular Weight
353.370000
Exact Mass
353.158685
SMILES
CC(C)C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=NC3=O)N)OC(O2)(C)C
InChI
InChI=1S/C16H23N3O6/c1-8(2)14(20)22-7-9-11-12(25-16(3,4)24-11)13(23-9)19-6-5-10(17)18-15(19)21/h5-6,8-9,11-13H,7H2,1-4H3,(H2,17,18,21)/t9-,11-,12-,13-/m1/s1
InChIKey
JRJPFXJUVAQYRQ-OJAKKHQRSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
86.44
TPSA
114.9

LogP / Solubility

WLOGP
0.44
MLOGP
0.41
Consensus LogP
0.28
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.56

Drug-likeness / Medicinal Chemistry

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

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