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CAS 38313-48-3 3′,5′-Anhydrothymidine molecular structure lightbox
CAS RN: 38313-48-3

3′,5′-Anhydrothymidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: LINA899852
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38313-48-3 / 1-[(1R,3R,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 38313-48-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38313-48-3
Multi CAS
Yes
Molecular Formula
C10H12N2O4
Molecular Weight
224.210000
Exact Mass
224.079707
InChI
InChI=1S/C10H12N2O4/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(16-8)4-15-6/h3,6-8H,2,4H2,1H3,(H,11,13,14)/t6-,7+,8+/m0/s1
InChIKey
OAWLMYIJZBBZTP-XLPZGREQSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.33
TPSA
73.32

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.5
Consensus LogP
-0.46
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.42

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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