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CAS 37905-96-7 [1,8]NAPHTHYRIDINE-2,5-DIOL molecular structure lightbox
CAS RN: 37905-96-7

[1,8]NAPHTHYRIDINE-2,5-DIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS37905-96-7
  • Purity/Analytical Methods: >99.0%
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37905-96-7 / 1,8-dihydro-1,8-naphthyridine-2,5-dione

Standard CAS: 37905-96-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37905-96-7
Multi CAS
Yes
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
InChI
InChI=1S/C8H6N2O2/c11-6-3-4-9-8-5(6)1-2-7(12)10-8/h1-4H,(H2,9,10,11,12)
InChIKey
GEHOMMDYWHHJTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.19
TPSA
65.72

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-0.2
Consensus LogP
0.07
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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