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CAS 1418117-77-7 Benzyl 5-[Methoxy(Methyl)aMino]-5-oxopentanoate molecular structure lightbox
CAS RN: 1418117-77-7

Benzyl 5-[Methoxy(Methyl)aMino]-5-oxopentanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250105 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-052496
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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 1418117-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry

1418117-77-7 / benzyl 5-[methoxy(methyl)amino]-5-oxopentanoate

Standard CAS: 1418117-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1418117-77-7
Multi CAS
No
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
SMILES
CN(C(=O)CCCC(=O)OCC1=CC=CC=C1)OC
InChI
InChI=1S/C14H19NO4/c1-15(18-2)13(16)9-6-10-14(17)19-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKey
JVFCLXXADNWCBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
69.87
TPSA
55.84

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
1.4
Consensus LogP
1.67
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.98

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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