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CAS 73086-97-2 L-A-AMINOXY-B-PHENYLPROPIONIC ACID, HYDROBROMIDE molecular structure lightbox
CAS RN: 73086-97-2

L-A-AMINOXY-B-PHENYLPROPIONIC ACID, HYDROBROMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 25mg / 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS73086-97-2
  • Purity/Analytical Methods: >99.0%
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73086-97-2 / (2S)-2-aminooxy-3-phenylpropanoic acid;hydrobromide

Standard CAS: 73086-97-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73086-97-2
Multi CAS
Yes
Molecular Formula
BC9H12O3Rn
Molecular Weight
262.100000
Exact Mass
261.000060
InChI
InChI=1S/C9H11NO3.BrH/c10-13-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
InChIKey
YENJJZAVLSPBIZ-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.16
TPSA
72.55

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
1.15
Consensus LogP
1.11
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

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
2

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