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CAS 1020253-23-9 2-Chloro-6-(4-methoxybenzyloxy)pyridine molecular structure lightbox
CAS RN: 1020253-23-9

2-Chloro-6-(4-methoxybenzyloxy)pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250721 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1020253-23-9
  • Purity/Analytical Methods: >99.0%
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1020253-23-9 / 2-chloro-6-[(4-methoxyphenyl)methoxy]pyridine

2-CHLORO-6-(4-METHOXYBENZYLOXY)PYRIDINE | 2-chloro-6-[(4-methoxyphenyl)methoxy]pyridine | MFCD09972200

Standard CAS: 1020253-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020253-23-9
Multi CAS
No
Molecular Formula
C13H12ClNO2
Molecular Weight
249.690000
Exact Mass
249.055656
SMILES
COC1=CC=C(C=C1)COC2=NC(=CC=C2)Cl
InChI
InChI=1S/C13H12ClNO2/c1-16-11-7-5-10(6-8-11)9-17-13-4-2-3-12(14)15-13/h2-8H,9H2,1H3
InChIKey
KZADIUOCLPMBGX-UHFFFAOYSA-N
Synonyms
2-CHLORO-6-(4-METHOXYBENZYLOXY)PYRIDINE 2-chloro-6-[(4-methoxyphenyl)methoxy]pyridine MFCD09972200 Pyridine, 2-chloro-6-[(4-methoxyphenyl)methoxy]- DTXSID40674406

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
66.57
TPSA
31.35

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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