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CAS 1205-09-0 [[(α-Methylbenzylidene)amino]oxy]acetic acid molecular structure lightbox
CAS RN: 1205-09-0

[[(α-Methylbenzylidene)amino]oxy]acetic acid

  • Product code: SSC-021527
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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: 0.25g
  • 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 1205-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1205-09-0 / 2-[(E)-1-phenylethylideneamino]oxyacetic acid

(Z)-2-(((1-phenylethylidene)amino)oxy)acetic acid | MFCD01673102 | (Z)-2-(1-phenylethylideneaMinooxy)acetic acid

Standard CAS: 1205-09-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1205-09-0
Multi CAS
Yes
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
C/C(=N\OCC(=O)O)/C1=CC=CC=C1
InChI
InChI=1S/C10H11NO3/c1-8(11-14-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13)/b11-8+
InChIKey
RCSPUQDYCFCXCV-DHZHZOJOSA-N
Synonyms
(Z)-2-(((1-phenylethylidene)amino)oxy)acetic acid MFCD01673102 (Z)-2-(1-phenylethylideneaMinooxy)acetic acid 2-(1-phenylethylideneamino)oxyacetic acid DTXSID601253652

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.24
TPSA
58.89

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.8
Consensus LogP
1.55
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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