Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 25g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
134005-20-2 / (Z)-1,3-diiodobut-2-ene
Basic Information
CAS
134005-20-2
Multi CAS
No
Molecular Formula
C4H6I2
Molecular Weight
307.900000
Exact Mass
307.855900
SMILES
C/C(=C/CI)/I
InChI
InChI=1S/C4H6I2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2-
InChIKey
MTIFMNTZMLZREE-RQOWECAXSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
Molar refractivity
46.66
TPSA
0.0000
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
3.2
Consensus LogP
2.8
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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5′-O-[(N,N-DIISOPROPYLAMINO)-(2-CYANOETHOXY)PHOSPHINYL]-3′-O-(4,4′-DIMETHOXYTRITYL)-THYMIDINE
- CAS RN: 134031-86-0
- Product Code: SSC-041288
-
AG 490
- CAS RN: 134036-52-5
- Product Code: starshine_CAS134036-52-5
- Purity/Analytical method: >99.0%
![CAS 134031-86-0 5′-O-[(N,N-DIISOPROPYLAMINO)-(2-CYANOETHOXY)PHOSPHINYL]-3′-O-(4,4′-DIMETHOXYTRITYL)-THYMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134031-86-0.gif)
