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CAS 187793-06-2 2-AMINO-4,5-BIS(4-METHYLPHENYL)-3-FURONITRILE molecular structure lightbox
CAS RN: 187793-06-2

2-AMINO-4,5-BIS(4-METHYLPHENYL)-3-FURONITRILE

  • Product code: SSC-087289
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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 187793-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

187793-06-2 / 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile

Standard CAS: 187793-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187793-06-2
Multi CAS
No
Molecular Formula
C19H16N2O
Molecular Weight
288.300000
Exact Mass
288.126263
SMILES
CC1=CC=C(C=C1)C2=C(OC(=C2C#N)N)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H16N2O/c1-12-3-7-14(8-4-12)17-16(11-20)19(21)22-18(17)15-9-5-13(2)6-10-15/h3-10H,21H2,1-2H3
InChIKey
INONLRKTDXRGKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.18
TPSA
62.95

LogP / Solubility

WLOGP
4.68
MLOGP
4.13
XLogP3
4.9
Consensus LogP
4.57
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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