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CAS 877977-21-4 ETHYL 4-[(CHLOROACETYL)AMINO]PIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 877977-21-4

ETHYL 4-[(CHLOROACETYL)AMINO]PIPERIDINE-1-CARBOXYLATE

  • Product code: SSC-198093
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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: 1g
  • 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 877977-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

877977-21-4 / 3-(8-methyl-4-oxoquinazolin-3-yl)propanoic acid

Standard CAS: 877977-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
877977-21-4
Multi CAS
No
Molecular Formula
C12H12N2O3
Molecular Weight
232.230000
Exact Mass
232.084792
InChI
InChI=1S/C12H12N2O3/c1-8-3-2-4-9-11(8)13-7-14(12(9)17)6-5-10(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKey
QEQPMWBKEFOMIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.99
TPSA
72.19

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
0.8
Consensus LogP
1.01
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.3

Drug-likeness / Medicinal Chemistry

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

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