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CAS 137409-99-5 Methyl 2-(methylanilino)-2-oxoacetate molecular structure lightbox
CAS RN: 137409-99-5

Methyl 2-(methylanilino)-2-oxoacetate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 100mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-046948
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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 137409-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

137409-99-5 / methyl 2-(N-methylanilino)-2-oxoacetate

Standard CAS: 137409-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137409-99-5
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
CN(C1=CC=CC=C1)C(=O)C(=O)OC
InChI
InChI=1S/C10H11NO3/c1-11(9(12)10(13)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
XDTKZRBTTAXCPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.87
TPSA
46.61

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
1.6
Consensus LogP
1.05
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-3.31

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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