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CAS 3445-84-9 N,N-Bis(2-cyanoethyl)formamide molecular structure lightbox
CAS RN: 3445-84-9

N,N-Bis(2-cyanoethyl)formamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-140916
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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 3445-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3445-84-9 / N,N-bis(2-cyanoethyl)formamide

Standard CAS: 3445-84-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3445-84-9
Multi CAS
Yes
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
InChI
InChI=1S/C7H9N3O/c8-3-1-5-10(7-11)6-2-4-9/h7H,1-2,5-6H2
InChIKey
MYRFNYCEQURXPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
38.1
TPSA
67.89

LogP / Solubility

WLOGP
0.27
MLOGP
0.23
XLogP3
-0.9
Consensus LogP
-0.13
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.45

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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