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CAS 436097-14-2 2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran molecular structure lightbox
CAS RN: 436097-14-2

2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 100mg In stock Shanghai Inquiry
Batchno.20250217 100mg In stock Shanghai Inquiry
Batchno.20250804 1g Out of stock 8-10 business days Inquiry
Batchno.20260402 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250801 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250905 5g Out of stock Inquiry
  • Product code: SSC-151761
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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 436097-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

436097-14-2 / 2-[3-cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile

Standard CAS: 436097-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
436097-14-2
Multi CAS
No
Molecular Formula
C16F3H8N3O
Molecular Weight
315.250000
Exact Mass
315.061946
InChI
InChI=1S/C16H8F3N3O/c1-10-13(9-22)14(11(7-20)8-21)23-15(10,16(17,18)19)12-5-3-2-4-6-12/h2-6H,1H3
InChIKey
HALXLBYMOUPGRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
71.83
TPSA
80.6

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
2.5
Consensus LogP
3.11
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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