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CAS 94115-05-6 2,4-Dibromo-6-tert-butyl-phenylamine molecular structure lightbox
CAS RN: 94115-05-6

2,4-Dibromo-6-tert-butyl-phenylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS94115-05-6
  • Purity/Analytical Methods: >99.0%
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94115-05-6 / 2,4-dibromo-6-tert-butylaniline

Standard CAS: 94115-05-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94115-05-6
Multi CAS
No
Molecular Formula
C10H13BR2N
Molecular Weight
307.020000
Exact Mass
306.939430
InChI
InChI=1S/C10H13Br2N/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5H,13H2,1-3H3
InChIKey
RZSNBOTYWWDTTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.95
TPSA
26.02

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
4.3
Consensus LogP
4
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

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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