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CAS 723284-83-1 (S)-3-AMINO-3-(3,4-METHYLENEDIOXYPHENYL)PROPIONIC ACID molecular structure lightbox
CAS RN: 723284-83-1

(S)-3-AMINO-3-(3,4-METHYLENEDIOXYPHENYL)PROPIONIC ACID

  • Product code: starshine_CAS723284-83-1
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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 723284-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Hong Kong Inquiry

723284-83-1 / (3S)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid

Standard CAS: 723284-83-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
723284-83-1
Multi CAS
Yes
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7H,4-5,11H2,(H,12,13)/t7-/m0/s1
InChIKey
DJWMFJZOSZPAHI-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.75
TPSA
81.78

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
-2
Consensus LogP
-0.11
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-3.36

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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