CAS RN: 3868-21-1

2′,3′-isopropylidene-2,5′-anhydrouridine

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Batchno.20250326 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS3868-21-1
  • Purity/Analytical Methods: >99.0%
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3868-21-1 / 13,13-dimethyl-8,12,14,16-tetraoxa-2,6-diazatetracyclo[8.5.1.02,7.011,15]hexadeca-3,6-dien-5-one

Standard CAS: 3868-21-1 Multi CAS: Yes

Basic Information

CAS
3868-21-1
Multi CAS
Yes
Molecular Formula
C12H14N2O5
Molecular Weight
266.250000
Exact Mass
266.090272
InChI
InChI=1S/C12H14N2O5/c1-12(2)18-8-6-5-16-11-13-7(15)3-4-14(11)10(17-6)9(8)19-12/h3-4,6,8-10H,5H2,1-2H3
InChIKey
AZOHLNWZDQIBIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
H-bond acceptors
7
Molar refractivity
61.73
TPSA
71.81

LogP / Solubility

WLOGP
0.05
MLOGP
0.05
XLogP3
-0.2
Consensus LogP
-0.03
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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