![CAS 2305345-75-7 Benzene, 1-[2-(2-ethoxyethoxy)ethoxy]-4-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2305345-75-7.gif)
CAS RN: 2305345-75-7
Benzene, 1-[2-(2-ethoxyethoxy)ethoxy]-4-iodo-
- Product code: SSC-112027
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2305345-75-7 / 1-[2-(2-ethoxyethoxy)ethoxy]-4-iodobenzene
Basic Information
CAS
2305345-75-7
Multi CAS
No
Molecular Formula
C12H17IO3
Molecular Weight
336.170000
Exact Mass
336.022240
SMILES
CCOCCOCCOC1=CC=C(C=C1)I
InChI
InChI=1S/C12H17IO3/c1-2-14-7-8-15-9-10-16-12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3
InChIKey
OAGRLFOWILMRDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
71.97
TPSA
27.69
LogP / Solubility
WLOGP
2.72
MLOGP
2.41
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-2.84
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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