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CAS 69337-31-1 6-CHLORO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE molecular structure lightbox
CAS RN: 69337-31-1

6-CHLORO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE

  • Product code: SSC-178984
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 69337-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

69337-31-1 / 4-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

Standard CAS: 69337-31-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69337-31-1
Multi CAS
Yes
Molecular Formula
C7H6CLN3O2
Molecular Weight
199.590000
Exact Mass
199.014854
InChI
InChI=1S/C7H6ClN3O2/c1-10-5(8)4(3-9)6(12)11(2)7(10)13/h1-2H3
InChIKey
KTMMEWQJKQBEAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
5
Molar refractivity
46.65
TPSA
67.79

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.34
XLogP3
0.2
Consensus LogP
-0.18
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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)
-4.22

Drug-likeness / Medicinal Chemistry

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

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