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CAS 59524-07-1 Benzyl 2-(((benzyloxy)carbonyl)amino)acrylate molecular structure lightbox
CAS RN: 59524-07-1

Benzyl 2-(((benzyloxy)carbonyl)amino)acrylate

  • Product code: SSC-167986
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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: 0.25g
  • 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 59524-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

59524-07-1 / benzyl 2-(phenylmethoxycarbonylamino)prop-2-enoate

Standard CAS: 59524-07-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59524-07-1
Multi CAS
Yes
Molecular Formula
C18H17NO4
Molecular Weight
311.300000
Exact Mass
311.115758
InChI
InChI=1S/C18H17NO4/c1-14(17(20)22-12-15-8-4-2-5-9-15)19-18(21)23-13-16-10-6-3-7-11-16/h2-11H,1,12-13H2,(H,19,21)
InChIKey
RWVGXFCAOPUULL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.14
TPSA
64.63

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.5
Consensus LogP
3.16
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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