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CAS 937031-51-1 1,5-anhydro-2-deoxy-2-(3,4-dihydro-2,4-dioxo-1(2H)-pyriMidinyl)-4,6-O-[(R)-phenylMethylene]-D-Altritol molecular structure lightbox
CAS RN: 937031-51-1

1,5-anhydro-2-deoxy-2-(3,4-dihydro-2,4-dioxo-1(2H)-pyriMidinyl)-4,6-O-[(R)-phenylMethylene]-D-Altritol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS937031-51-1
  • Purity/Analytical Methods: >99.0%
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937031-51-1 / 1-[(2R,4aR,7R,8S,8aS)-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-4-aminopyrimidin-2-one

Standard CAS: 937031-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
937031-51-1
Multi CAS
Yes
Molecular Formula
C17H19N3O5
Molecular Weight
345.300000
Exact Mass
345.132471
InChI
InChI=1S/C17H19N3O5/c18-13-6-7-20(17(22)19-13)11-8-23-12-9-24-16(25-15(12)14(11)21)10-4-2-1-3-5-10/h1-7,11-12,14-16,21H,8-9H2,(H2,18,19,22)/t11-,12-,14+,15-,16-/m1/s1
InChIKey
WRNPUDZQHDYTNX-HUHANWACSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
87.7
TPSA
108.83

LogP / Solubility

WLOGP
0.24
MLOGP
0.23
XLogP3
-0.8
Consensus LogP
-0.11
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5

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