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CAS 57085-32-2 (S)-3-(3-ACETYL-4-HYDROXY-PHENYL)-2-AMINO-PROPIONIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 57085-32-2

(S)-3-(3-ACETYL-4-HYDROXY-PHENYL)-2-AMINO-PROPIONIC ACID METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260219 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-165182
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 57085-32-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 4 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry

57085-32-2 / methyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoate

Standard CAS: 57085-32-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57085-32-2
Multi CAS
Yes
Molecular Formula
C12H15NO4
Molecular Weight
237.250000
Exact Mass
237.100108
InChI
InChI=1S/C12H15NO4/c1-7(14)9-5-8(3-4-11(9)15)6-10(13)12(16)17-2/h3-5,10,15H,6,13H2,1-2H3/t10-/m0/s1
InChIKey
VQVRSJSGFRNIAN-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.81
TPSA
89.62

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

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

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