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CAS 791782-11-1 (S)-Benzyl 2-amino-3-methoxypropanoate molecular structure lightbox
CAS RN: 791782-11-1

(S)-Benzyl 2-amino-3-methoxypropanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-188408
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 791782-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

791782-11-1 / benzyl 2-amino-3-methoxypropanoate

Standard CAS: 791782-11-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
791782-11-1
Multi CAS
Yes
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
InChI
InChI=1S/C11H15NO3/c1-14-8-10(12)11(13)15-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKey
PLGIWPZJAPVLTD-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.09
TPSA
61.55

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.6
Consensus LogP
0.64
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-3.5

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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