CAS RN: 191421-10-0
1-(BETA-D-2-DEOXYRIBOFURANOSYL)-5-NITROINDOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS191421-10-0
- Purity/Analytical Methods: >99.0%
191421-10-0 / (2R,3S,5R)-2-(hydroxymethyl)-5-(5-nitroindol-1-yl)oxolan-3-ol
Basic Information
CAS
191421-10-0
Multi CAS
No
Molecular Formula
C13H14N2O5
Molecular Weight
278.260000
Exact Mass
278.090272
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2C=CC(=C3)[N+](=O)[O-])CO)O
InChI
InChI=1S/C13H14N2O5/c16-7-12-11(17)6-13(20-12)14-4-3-8-5-9(15(18)19)1-2-10(8)14/h1-5,11-13,16-17H,6-7H2/t11-,12+,13+/m0/s1
InChIKey
ODPRBLIUAVWXNM-YNEHKIRRSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.21
TPSA
97.76
LogP / Solubility
WLOGP
1.19
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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