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CAS 1260760-22-2 Benzyl 4-[Methoxy(Methyl)aMino]-4-oxobutanoate molecular structure lightbox
CAS RN: 1260760-22-2

Benzyl 4-[Methoxy(Methyl)aMino]-4-oxobutanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-031978
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1260760-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry

1260760-22-2 / benzyl 4-[methoxy(methyl)amino]-4-oxobutanoate

Standard CAS: 1260760-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260760-22-2
Multi CAS
No
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
SMILES
CN(C(=O)CCC(=O)OCC1=CC=CC=C1)OC
InChI
InChI=1S/C13H17NO4/c1-14(17-2)12(15)8-9-13(16)18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
YZTCKSAAPZMJPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
65.25
TPSA
55.84

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1
Consensus LogP
1.29
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

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

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