[email protected]
CAS 2095417-28-8 3′-Azido-3′-deoxy-beta-L-uridine molecular structure lightbox
CAS RN: 2095417-28-8

3′-Azido-3′-deoxy-beta-L-uridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2095417-28-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2095417-28-8 / 1-[(2S,3S,4R,5R)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 2095417-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2095417-28-8
Multi CAS
No
Molecular Formula
C9H11N5O5
Molecular Weight
269.210000
Exact Mass
269.076018
SMILES
C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)N=[N+]=[N-])O
InChI
InChI=1S/C9H11N5O5/c10-13-12-6-4(3-15)19-8(7(6)17)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m0/s1
InChIKey
WQBCHXWMHQMQKW-PSQAKQOGSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
61.26
TPSA
153.31

LogP / Solubility

WLOGP
-1.53
MLOGP
-1.34
XLogP3
-1.3
Consensus LogP
-1.39
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-5.45

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us