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CAS 148608-53-1 5-formylcytidine molecular structure lightbox
CAS RN: 148608-53-1

5-formylcytidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS148608-53-1
  • Purity/Analytical Methods: >99.0%
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148608-53-1 / 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carbaldehyde

Standard CAS: 148608-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148608-53-1
Multi CAS
No
Molecular Formula
C10H13N3O6
Molecular Weight
271.230000
Exact Mass
271.080435
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C=O
InChI
InChI=1S/C10H13N3O6/c11-8-4(2-14)1-13(10(18)12-8)9-7(17)6(16)5(3-15)19-9/h1-2,5-7,9,15-17H,3H2,(H2,11,12,18)/t5-,6-,7-,9-/m1/s1
InChIKey
OCMSXKMNYAHJMU-JXOAFFINSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
4
Molar refractivity
61.31
TPSA
147.9

LogP / Solubility

WLOGP
-2.75
MLOGP
-2.41
XLogP3
-2.2
Consensus LogP
-2.45
Log S (ESOL)
0.18
Class (ESOL)
Highly soluble
Log S (Ali)
0.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.5
Class (SILICOS-IT)
Highly 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)
-6.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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