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CAS 737702-63-5 2-(2-Amino-5-bromophenyl)acetic acid molecular structure lightbox
CAS RN: 737702-63-5

2-(2-Amino-5-bromophenyl)acetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS737702-63-5
  • Purity/Analytical Methods: >99.0%
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737702-63-5 / 2-(2-amino-5-bromophenyl)acetic acid

Standard CAS: 737702-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
737702-63-5
Multi CAS
No
Molecular Formula
BC8H8O2Rn
Molecular Weight
230.060000
Exact Mass
228.973840
InChI
InChI=1S/C8H8BrNO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4,10H2,(H,11,12)
InChIKey
ZCGPVMWOPOSEDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.89
TPSA
63.32

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.95

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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