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CAS 36061-00-4 Methyl 2-AcetaMido-2-phenylacetate molecular structure lightbox
CAS RN: 36061-00-4

Methyl 2-AcetaMido-2-phenylacetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-143180
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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: 5g
  • Available purity: ＞97%
  • 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 36061-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

36061-00-4 / methyl 2-acetamido-2-phenylacetate

Standard CAS: 36061-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36061-00-4
Multi CAS
Yes
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,12,13)
InChIKey
SAPRVTLHJXZROQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.02
TPSA
55.4

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
1.2
Consensus LogP
1.05
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately 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)
-3.25

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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