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CAS 5167-17-9 N2,N2-Di-E… molecular structure lightbox
CAS RN: 5167-17-9

N2,N2-Di-E…

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-158613
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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 5167-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5167-17-9 / N,N-diethyl-7H-purin-2-amine

Standard CAS: 5167-17-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5167-17-9
Multi CAS
Yes
Molecular Formula
C9H13N5
Molecular Weight
191.230000
Exact Mass
191.117095
InChI
InChI=1S/C9H13N5/c1-3-14(4-2)9-10-5-7-8(13-9)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKey
AEKLNDWDOJGCQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.24
TPSA
57.7

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
1.3
Consensus LogP
1.18
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.04

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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