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CAS 808133-98-4 Benzenamine, 5-bromo-2-methoxy-4-methyl- (9CI) molecular structure lightbox
CAS RN: 808133-98-4

Benzenamine, 5-bromo-2-methoxy-4-methyl- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS808133-98-4
  • Purity/Analytical Methods: >99.0%
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808133-98-4 / 5-bromo-2-methoxy-4-methylaniline

Standard CAS: 808133-98-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
808133-98-4
Multi CAS
No
Molecular Formula
BC8H10ORn
Molecular Weight
216.070000
Exact Mass
214.994580
InChI
InChI=1S/C8H10BrNO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,10H2,1-2H3
InChIKey
CQTXKFAOECJJFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.84
TPSA
35.25

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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