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CAS 66646-88-6 METHYL ((PHENYLMETHYLIDENE)AMINO ACETAT& molecular structure lightbox
CAS RN: 66646-88-6

METHYL ((PHENYLMETHYLIDENE)AMINO ACETAT&

  • Product code: SSC-176319
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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 66646-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

66646-88-6 / methyl 2-(benzylideneamino)acetate

Standard CAS: 66646-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66646-88-6
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
InChI
InChI=1S/C10H11NO2/c1-13-10(12)8-11-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey
YOIONBBMZSLNLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
50.92
TPSA
38.66

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
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)
-2.89

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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