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CAS 60185-68-4 6-HYDROXY-5-NITRO-2-PROPYL-4(3H)-PYRIMIDINONE molecular structure lightbox
CAS RN: 60185-68-4

6-HYDROXY-5-NITRO-2-PROPYL-4(3H)-PYRIMIDINONE

  • Product code: SSC-168751
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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 60185-68-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

60185-68-4 / 4-hydroxy-5-nitro-2-propyl-1H-pyrimidin-6-one

Standard CAS: 60185-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60185-68-4
Multi CAS
No
Molecular Formula
C7H9N3O4
Molecular Weight
199.160000
Exact Mass
199.059306
InChI
InChI=1S/C7H9N3O4/c1-2-3-4-8-6(11)5(10(13)14)7(12)9-4/h2-3H2,1H3,(H2,8,9,11,12)
InChIKey
JQTCVMAWZRUMFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
47.17
TPSA
109.12

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.5
Consensus LogP
0.38
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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