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CAS 866775-12-4 Methyl 3-aMino-6-broMo-5-chloropicolinate molecular structure lightbox
CAS RN: 866775-12-4

Methyl 3-aMino-6-broMo-5-chloropicolinate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS866775-12-4
  • Purity/Analytical Methods: >99.0%
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866775-12-4 / methyl 3-amino-6-bromo-5-chloropyridine-2-carboxylate

Standard CAS: 866775-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
866775-12-4
Multi CAS
No
Molecular Formula
C7H6BRCLN2O2
Molecular Weight
265.490000
Exact Mass
263.930120
InChI
InChI=1S/C7H6BrClN2O2/c1-13-7(12)5-4(10)2-3(9)6(8)11-5/h2H,10H2,1H3
InChIKey
MSFXDHAGWDLGPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.7
TPSA
65.21

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2.6
Consensus LogP
2.04
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

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

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