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CAS 27855-25-0 (1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ACETIC ACID molecular structure lightbox
CAS RN: 27855-25-0

(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ACETIC ACID

  • Product code: SSC-128254
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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 27855-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

27855-25-0 / 2-(1,3-benzodioxole-5-carbonylamino)acetic acid

Standard CAS: 27855-25-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27855-25-0
Multi CAS
Yes
Molecular Formula
C10H9NO5
Molecular Weight
223.180000
Exact Mass
223.048072
InChI
InChI=1S/C10H9NO5/c12-9(13)4-11-10(14)6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)
InChIKey
FWHKWFNOFSQUIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.53
TPSA
84.86

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
0.5
Consensus LogP
0.31
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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