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CAS 305835-80-7 6-bromo-N-methylnaphthalen-2-amine molecular structure lightbox
CAS RN: 305835-80-7

6-bromo-N-methylnaphthalen-2-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS305835-80-7
  • Purity/Analytical Methods: >99.0%
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305835-80-7 / 6-bromo-N-methylnaphthalen-2-amine

Standard CAS: 305835-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
305835-80-7
Multi CAS
No
Molecular Formula
BC11H10Rn
Molecular Weight
236.110000
Exact Mass
234.999660
InChI
InChI=1S/C11H10BrN/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,1H3
InChIKey
PNZMPEIIKCHAHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.19
TPSA
12.03

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
3.8
Consensus LogP
3.55
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
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)
-1.57

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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