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CAS 1393442-33-5 5-(3-Chloro-5-fluorophenyl)-2-Methoxypyridine molecular structure lightbox
CAS RN: 1393442-33-5

5-(3-Chloro-5-fluorophenyl)-2-Methoxypyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1393442-33-5
  • Purity/Analytical Methods: >99.0%
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1393442-33-5 / 5-(3-chloro-5-fluorophenyl)-2-methoxypyridine

Standard CAS: 1393442-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393442-33-5
Multi CAS
No
Molecular Formula
C12H9ClFNO
Molecular Weight
237.660000
Exact Mass
237.035670
SMILES
COC1=NC=C(C=C1)C2=CC(=CC(=C2)Cl)F
InChI
InChI=1S/C12H9ClFNO/c1-16-12-3-2-8(7-15-12)9-4-10(13)6-11(14)5-9/h2-7H,1H3
InChIKey
PDBLKOSFVAGYHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.19
TPSA
22.12

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
3.5
Consensus LogP
3.39
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

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

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