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CAS 500692-39-7 Pteridine, 2,4-dichloro-6,7-dimethyl- molecular structure lightbox
CAS RN: 500692-39-7

Pteridine, 2,4-dichloro-6,7-dimethyl-

  • Product code: SSC-156393
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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 500692-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

500692-39-7 / 2,4-dichloro-6,7-dimethylpteridine

Standard CAS: 500692-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
500692-39-7
Multi CAS
No
Molecular Formula
C8H6CL2N4
Molecular Weight
229.060000
Exact Mass
227.996952
InChI
InChI=1S/C8H6Cl2N4/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3
InChIKey
VJWDGZCTLXDUAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
4
Molar refractivity
54.62
TPSA
51.56

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

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

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