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CAS 73971-79-6 1-(3-beta-AMino-2,3-dideoxy-beta-D-threopenta-furanosyl)thyMine molecular structure lightbox
CAS RN: 73971-79-6

1-(3-beta-AMino-2,3-dideoxy-beta-D-threopenta-furanosyl)thyMine

  • Product code: SSC-183398
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 73971-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

73971-79-6 / 1-[4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 73971-79-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73971-79-6
Multi CAS
Yes
Molecular Formula
C10H15N3O4
Molecular Weight
241.240000
Exact Mass
241.106256
InChI
InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7-,8-/m1/s1
InChIKey
ADVCGXWUUOVPPB-BWZBUEFSSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
59.65
TPSA
110.34

LogP / Solubility

WLOGP
-1.55
MLOGP
-1.36
XLogP3
-1
Consensus LogP
-1.3
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
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)
-5.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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