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CAS 923762-54-3 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 923762-54-3

2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-CARBOXYLIC ACID

  • Product code: SSC-206026
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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 923762-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

923762-54-3 / N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-chloroacetamide

Standard CAS: 923762-54-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
923762-54-3
Multi CAS
Yes
Molecular Formula
C17H21CLN4O3
Molecular Weight
364.800000
Exact Mass
364.130218
InChI
InChI=1S/C17H21ClN4O3/c1-2-3-9-21-15(19)14(16(24)20-17(21)25)22(13(23)10-18)11-12-7-5-4-6-8-12/h4-8H,2-3,9-11,19H2,1H3,(H,20,24,25)
InChIKey
UYMVDRNKGHMUTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99
TPSA
101.19

LogP / Solubility

WLOGP
1.69
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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