![CAS 704890-84-6 2-[(5′-Bromo-[2,2′-bithiophen]-5-yl)methylene]malononitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5458-jpgcontextbwfzdgvyfhjvb3r8mjgyotr8aw1hz2uvanblz3xonzuvagy1lzg5mjkymdizmzk4nzavqju0ntguanbnfdg4ztcymzg0mjvhzmjiymjhmtrim2jhngm0ngewotdintu0mmy5ywzizwrhytnlm2i0ngziownmn2njn2fhmwq.jpeg)
CAS RN: 704890-84-6
2-[(5′-Bromo-[2,2′-bithiophen]-5-yl)methylene]malononitrile
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-180254
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
704890-84-6 / 2-[[5-(5-bromothiophen-2-yl)thiophen-2-yl]methylidene]propanedinitrile
Basic Information
CAS
704890-84-6
Multi CAS
Yes
Molecular Formula
BC12H5Rn2S2
Molecular Weight
321.200000
Exact Mass
319.907750
InChI
InChI=1S/C12H5BrN2S2/c13-12-4-3-11(17-12)10-2-1-9(16-10)5-8(6-14)7-15/h1-5H
InChIKey
GZLRCTASJSGPHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.54
TPSA
47.58
LogP / Solubility
WLOGP
4.67
MLOGP
4.12
XLogP3
4.1
Consensus LogP
4.3
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 176787-96-5 5′-Bromo-[2,2′-bithiophene]-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5457-jpgcontextbwfzdgvyfhjvb3r8mjc5mdn8aw1hz2uvanblz3xonzcvagyylzg5mjkymdiynzqzmzqvqju0ntcuanbnfdc5mgrhzmfkzdvintm3ogzjoddkmwqznzrimza0nwzkzguzyja4mtg5oti4zgjlywjjmzzkytnkytczmwnkzgm.jpeg)
