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CAS 571917-24-3 N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-2-chloro-N-(2-methoxy-ethyl)-acetamide molecular structure lightbox
CAS RN: 571917-24-3

N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-2-chloro-N-(2-methoxy-ethyl)-acetamide

  • Product code: SSC-165288
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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 571917-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

571917-24-3 / N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)acetamide

Standard CAS: 571917-24-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
571917-24-3
Multi CAS
Yes
Molecular Formula
C13H21CLN4O4
Molecular Weight
332.780000
Exact Mass
332.125133
InChI
InChI=1S/C13H21ClN4O4/c1-3-4-5-18-11(15)10(12(20)16-13(18)21)17(6-7-22-2)9(19)8-14/h3-8,15H2,1-2H3,(H,16,20,21)
InChIKey
RJBTYJAFFIIDAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
85.59
TPSA
110.42

LogP / Solubility

WLOGP
0.14
MLOGP
0.14
Consensus LogP
0.09
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65

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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