CAS RN: 131379-16-3
4-(Ethoxycarbonyl)phenylzinc iodide solution 0.5M in THF, 0.5M in THF
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250805 | 50ml | Out of stock | 8-10 business days | Inquiry |
- Product code: LINE920259
131379-16-3 / ethyl benzoate;iodozinc(1+)
Basic Information
CAS
131379-16-3
Multi CAS
No
Molecular Formula
C9H9IO2Zn
Molecular Weight
341.500000
Exact Mass
339.893870
SMILES
CCOC(=O)C1=CC=[C-]C=C1.[Zn+]I
InChI
InChI=1S/C9H9O2.HI.Zn/c1-2-11-9(10)8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKey
DVAYVJGYZRYJEV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.25
TPSA
26.3
LogP / Solubility
WLOGP
2.55
MLOGP
2.26
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1272758-40-3 4-Boc-6-Hydroxy-[1,4]oxazepane molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
4′,4”’,4””’-(1,3,5-triazine-2,4,6-triyl)tris(([1,1′-biphenyl]-4-amine))
- CAS RN: 2130745-76-3
- Product Code: SSC-101735
-
4′,4-oxybis(([1,1′-biphenyl]-3,5-dicarboxylic acid))
- CAS RN: 1570096-83-1
- Product Code: LINO914048
-
4′,5,7-TRIMETHOXYFLAVONE, Analytical reference
- CAS RN: 5631-70-9
- Product Code: SSC-164294
-
![CAS 1272758-40-3 4-Boc-6-Hydroxy-[1,4]oxazepane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1272758-40-3.png)
![CAS 2130745-76-3 4′,4”’,4””’-(1,3,5-triazine-2,4,6-triyl)tris(([1,1′-biphenyl]-4-amine)) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/2130745-76-3.png)
![CAS 1570096-83-1 4′,4-oxybis(([1,1′-biphenyl]-3,5-dicarboxylic acid)) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/01238000.png)
