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 | Shanghai | Inquiry |
118156-84-6 / 1-fluoro-4-(3-iodopropyl)benzene
1-Fluoro-4-(3-iodopropyl)benzene | Benzene, 1-fluoro-4-(3-iodopropyl)- | MFCD31811604
Basic Information
CAS
118156-84-6
Multi CAS
No
Molecular Formula
C9H10FI
Molecular Weight
264.080000
Exact Mass
263.981130
SMILES
C1=CC(=CC=C1CCCI)F
InChI
InChI=1S/C9H10FI/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7H2
InChIKey
KZIWHIFUFXAERT-UHFFFAOYSA-N
Synonyms
1-Fluoro-4-(3-iodopropyl)benzene
Benzene, 1-fluoro-4-(3-iodopropyl)-
MFCD31811604
4-fluorophenyl propyliodide
SCHEMBL386493
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
53.61
TPSA
0.0000
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
4
Consensus LogP
3.34
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
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
-
-
Methyl 5′-(hydroxymethyl)-7,7′-dimethoxy-[4,4′-bibenzo[d][1,3]dioxole]-5-carboxylate
- CAS RN: 118159-48-1
- Product Code: starshine_CAS118159-48-1
- Purity/Analytical method: >99.0%
-
-
2,6-Phenanthrenediol, 1,5,7-trimethoxy-
- CAS RN: 118169-17-8
- Product Code: starshine_CAS118169-17-8
- Purity/Analytical method: >99.0%
-
-
2-Hydroxymethyl-3-methyl-4-(3-methoxy propanoxyl)pyridine
- CAS RN: 118175-10-3
- Product Code: SSC-018015
![CAS 118159-48-1 Methyl 5′-(hydroxymethyl)-7,7′-dimethoxy-[4,4′-bibenzo[d][1,3]dioxole]-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118159-48-1.gif)
