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CAS 876707-99-2 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyriMidin-6-one, 2-azido-2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxyMethyl)-, (2R,3S,3aS,9aR)- molecular structure lightbox
CAS RN: 876707-99-2

6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyriMidin-6-one, 2-azido-2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxyMethyl)-, (2R,3S,3aS,9aR)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS876707-99-2
  • Purity/Analytical Methods: >99.0%
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876707-99-2 / (2R,4R,5S,6S)-4-azido-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one

Standard CAS: 876707-99-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
876707-99-2
Multi CAS
Yes
Molecular Formula
C9H9N5O5
Molecular Weight
267.200000
Exact Mass
267.060368
InChI
InChI=1S/C9H9N5O5/c10-13-12-9(3-15)6(17)5-7(19-9)14-2-1-4(16)11-8(14)18-5/h1-2,5-7,15,17H,3H2/t5-,6-,7+,9+/m0/s1
InChIKey
HXIRTOCBJXONPW-XZMZPDFPSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
58
TPSA
142.57

LogP / Solubility

WLOGP
-1.11
MLOGP
-0.97
XLogP3
-0.4
Consensus LogP
-0.83
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-5.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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