CAS RN: 1155371-47-3
1-Iodo-5-isopropyl-2,4-dimethoxybenzene
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-015303
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 | Beijing | Inquiry |
1155371-47-3 / 1-iodo-2,4-dimethoxy-5-propan-2-ylbenzene
1-iodo-5-isopropyl-2,4-dimethoxybenzene | C11H15IO2 | 1-iodo-2,4-dimethoxy-5-propan-2-ylbenzene
Basic Information
CAS
1155371-47-3
Multi CAS
No
Molecular Formula
C11H15IO2
Molecular Weight
306.140000
Exact Mass
306.011680
SMILES
CC(C)C1=CC(=C(C=C1OC)OC)I
InChI
InChI=1S/C11H15IO2/c1-7(2)8-5-9(12)11(14-4)6-10(8)13-3/h5-7H,1-4H3
InChIKey
QBTLWHYKYLZHKG-UHFFFAOYSA-N
Synonyms
1-iodo-5-isopropyl-2,4-dimethoxybenzene
C11H15IO2
1-iodo-2,4-dimethoxy-5-propan-2-ylbenzene
SCHEMBL4071229
DTXSID701252138
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
66.35
TPSA
18.46
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.6
Consensus LogP
3.35
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-2.15
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
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