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CAS 850663-79-5 6-bromo-N4-phenyl-3,4-pyridinediamine molecular structure lightbox
CAS RN: 850663-79-5

6-bromo-N4-phenyl-3,4-pyridinediamine

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260424 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN927147
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850663-79-5 / 6-bromo-4-N-phenylpyridine-3,4-diamine

Standard CAS: 850663-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850663-79-5
Multi CAS
No
Molecular Formula
BC11H10Rn3
Molecular Weight
264.120000
Exact Mass
263.005810
InChI
InChI=1S/C11H10BrN3/c12-11-6-10(9(13)7-14-11)15-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKey
JVAGMQZETVWJIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.07
TPSA
50.94

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.7
Consensus LogP
2.89
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

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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