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CAS 720662-28-2 (S)-3-Amino-3-(2-methoxy-phenyl)-propionic acid molecular structure lightbox
CAS RN: 720662-28-2

(S)-3-Amino-3-(2-methoxy-phenyl)-propionic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS720662-28-2
  • Purity/Analytical Methods: >99.0%
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720662-28-2 / (3R)-3-amino-3-(2-methoxyphenyl)propanoic acid

Standard CAS: 720662-28-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
720662-28-2
Multi CAS
Yes
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
InChI
InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKey
UAZGIQATDPCZHH-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.18
TPSA
72.55

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
-2
Consensus LogP
0.07
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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