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CAS 4774-33-8 N,N’,N”-METHYLIDYNETRISFORMAMIDE molecular structure lightbox
CAS RN: 4774-33-8

N,N’,N”-METHYLIDYNETRISFORMAMIDE

  • Product code: SSC-154675
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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: 5g
  • 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 4774-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

4774-33-8 / N-(diformamidomethyl)formamide

Standard CAS: 4774-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4774-33-8
Multi CAS
Yes
Molecular Formula
C4H7N3O3
Molecular Weight
145.120000
Exact Mass
145.048741
InChI
InChI=1S/C4H7N3O3/c8-1-5-4(6-2-9)7-3-10/h1-4H,(H,5,8)(H,6,9)(H,7,10)
InChIKey
HNPCDFJZADHNHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.39
TPSA
87.3

LogP / Solubility

WLOGP
-2.49
MLOGP
-2.2
XLogP3
-1.5
Consensus LogP
-2.06
Log S (ESOL)
1.23
Class (ESOL)
Highly soluble
Log S (Ali)
1.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.75
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.37

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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