[email protected]
CAS 795-18-6 ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate molecular structure lightbox
CAS RN: 795-18-6

ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-188654
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 795-18-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

795-18-6 / ethyl 3-[benzyl-(2-ethoxy-2-oxoethyl)amino]propanoate

Standard CAS: 795-18-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
795-18-6
Multi CAS
Yes
Molecular Formula
C16H23NO4
Molecular Weight
293.360000
Exact Mass
293.162708
InChI
InChI=1S/C16H23NO4/c1-3-20-15(18)10-11-17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey
JWYHGTSTWMQTHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
79.6
TPSA
55.84

LogP / Solubility

WLOGP
2
MLOGP
1.78
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us