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CAS 113886-70-7 2′-(O-METHYL)-5-METHYLCYTIDINE molecular structure lightbox
CAS RN: 113886-70-7

2′-(O-METHYL)-5-METHYLCYTIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013864
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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: ＞97%
  • 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 113886-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

113886-70-7 / 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidin-2-one

CHEMBL5491519 | SCHEMBL18512865 | 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-2-one

Standard CAS: 113886-70-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113886-70-7
Multi CAS
Yes
Molecular Formula
C11H17N3O5
Molecular Weight
271.270000
Exact Mass
271.116821
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OC
InChI
InChI=1S/C11H17N3O5/c1-5-3-14(11(17)13-9(5)12)10-8(18-2)7(16)6(4-15)19-10/h3,6-8,10,15-16H,4H2,1-2H3,(H2,12,13,17)/t6-,7-,8-,10-/m1/s1
InChIKey
CNVRVGAACYEOQI-FDDDBJFASA-N
Synonyms
CHEMBL5491519 SCHEMBL18512865 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-2-one PD192541 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
3
Molar refractivity
65.45
TPSA
119.83

LogP / Solubility

WLOGP
-1.6
MLOGP
-1.4
XLogP3
-1.5
Consensus LogP
-1.5
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
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)
-5.51

Drug-likeness / Medicinal Chemistry

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

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