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CAS 19316-85-9 5′-AZIDO-5′-DEOXYTHYMIDINE molecular structure lightbox
CAS RN: 19316-85-9

5′-AZIDO-5′-DEOXYTHYMIDINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS19316-85-9
  • Purity/Analytical Methods: >99.0%
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19316-85-9 / 1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 19316-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19316-85-9
Multi CAS
No
Molecular Formula
C10H13N5O4
Molecular Weight
267.240000
Exact Mass
267.096754
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N+]=[N-])O
InChI
InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1
InChIKey
GKEHVJFBPNPCKI-XLPZGREQSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.61
TPSA
133.08

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.16
XLogP3
-0.1
Consensus LogP
-0.15
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-4.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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