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CAS 730997-83-8 N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-YL)-N-PENTYL-SUCCINAMIC ACID molecular structure lightbox
CAS RN: 730997-83-8

N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-YL)-N-PENTYL-SUCCINAMIC ACID

  • Product code: SSC-182557
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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 730997-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

730997-83-8 / 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoic acid

Standard CAS: 730997-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
730997-83-8
Multi CAS
No
Molecular Formula
C17H28N4O5
Molecular Weight
368.400000
Exact Mass
368.205970
InChI
InChI=1S/C17H28N4O5/c1-3-5-7-11-20(12(22)8-9-13(23)24)14-15(18)21(10-6-4-2)17(26)19-16(14)25/h3-11,18H2,1-2H3,(H,23,24)(H,19,25,26)
InChIKey
BJNLSRLSUCZBSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
3
Molar refractivity
99.39
TPSA
138.49

LogP / Solubility

WLOGP
1.31
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.09
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04

Drug-likeness / Medicinal Chemistry

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

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