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CAS 325685-59-4 4-CHLORO-6-(METHOXYMETHYL)-2-PHENYLPYRIMIDINE molecular structure lightbox
CAS RN: 325685-59-4

4-CHLORO-6-(METHOXYMETHYL)-2-PHENYLPYRIMIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250117 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS325685-59-4
  • Purity/Analytical Methods: >99.0%
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325685-59-4 / 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine

Standard CAS: 325685-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
325685-59-4
Multi CAS
No
Molecular Formula
C12H11CLN2O
Molecular Weight
234.680000
Exact Mass
234.055991
InChI
InChI=1S/C12H11ClN2O/c1-16-8-10-7-11(13)15-12(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey
GSSSCZAOXFZADM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
63.19
TPSA
35.01

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.68
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-2.06

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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