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CAS 143615-00-3 (2R,3S)-3-Phenylisoserine ethyl ester molecular structure lightbox
CAS RN: 143615-00-3

(2R,3S)-3-Phenylisoserine ethyl ester

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250726 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 5mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS143615-00-3
  • Purity/Analytical Methods: >99.0%
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143615-00-3 / ethyl (2R,3S)-3-amino-2-hydroxy-3-phenylpropanoate

Standard CAS: 143615-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143615-00-3
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
SMILES
CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)N)O
InChI
InChI=1S/C11H15NO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9-10,13H,2,12H2,1H3/t9-,10+/m0/s1
InChIKey
PIYPODQNLLWXJG-VHSXEESVSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.01
TPSA
72.55

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.5
Consensus LogP
0.55
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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