CAS RN: 114748-57-1
5′-Iodo-2′,3′-dideoxycytidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS114748-57-1
- Purity/Analytical Methods: >99.0%
114748-57-1 / 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Cytidine,2',3'-dideoxy-5-iodo- | I-ddC | NSC622941
Basic Information
CAS
114748-57-1
Multi CAS
Yes
Molecular Formula
C9H12IN3O3
Molecular Weight
337.110000
Exact Mass
336.992340
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)I
InChI
InChI=1S/C9H12IN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1
InChIKey
AMWJPSDPTPKJGN-CAHLUQPWSA-N
Synonyms
Cytidine,2',3'-dideoxy-5-iodo-
I-ddC
NSC622941
DIDEOXYCYTIDINE5IODO
SCHEMBL31488686
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
65.86
TPSA
90.37
LogP / Solubility
WLOGP
0.1
MLOGP
0.1
XLogP3
-0.3
Consensus LogP
-0.03
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-4.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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