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CAS 1222533-71-2 6-Fluoro-2-methyl-1,8-naphthyridine molecular structure lightbox
CAS RN: 1222533-71-2

6-Fluoro-2-methyl-1,8-naphthyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1222533-71-2
  • Purity/Analytical Methods: >99.0%
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1222533-71-2 / 6-fluoro-2-methyl-1,8-naphthyridine

Standard CAS: 1222533-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1222533-71-2
Multi CAS
No
Molecular Formula
C9H7FN2
Molecular Weight
162.160000
Exact Mass
162.059326
SMILES
CC1=NC2=NC=C(C=C2C=C1)F
InChI
InChI=1S/C9H7FN2/c1-6-2-3-7-4-8(10)5-11-9(7)12-6/h2-5H,1H3
InChIKey
BQKLPGCRWIERKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
44.23
TPSA
25.78

LogP / Solubility

WLOGP
2.08
MLOGP
1.82
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

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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