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 | Hong Kong | Inquiry |
1150617-68-7 / 5-chloro-2-iodo-1-methoxy-3-methylbenzene
5-chloro-2-iodo-1-methoxy-3-methylbenzene | MFCD12024410 | SCHEMBL13494625
Basic Information
CAS
1150617-68-7
Multi CAS
No
Molecular Formula
C8H8ClIO
Molecular Weight
282.500000
Exact Mass
281.930840
SMILES
CC1=CC(=CC(=C1I)OC)Cl
InChI
InChI=1S/C8H8ClIO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKey
FPXSKBJDHUMUPO-UHFFFAOYSA-N
Synonyms
5-chloro-2-iodo-1-methoxy-3-methylbenzene
MFCD12024410
SCHEMBL13494625
DTXSID50653924
5-Chloro-2-iodo-3-methylanisole
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.46
TPSA
9.23
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.5
Consensus LogP
3.21
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-2.13
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
-
2,4-Dichloro-quinazoline-8-carbonitrile
- CAS RN: 1150617-71-2
- Product Code: starshine_CAS1150617-71-2
- Purity/Analytical method: >99.0%
-
2-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
- CAS RN: 1150617-73-4
- Product Code: SSC-014782
-
-
3-METHOXY-2-(PYRROLIDIN-2-YL)PYRIDINE HYDROCHLORIDE
- CAS RN: 1150617-89-2
- Product Code: starshine_CAS1150617-89-2
- Purity/Analytical method: >99.0%
-
2-chloro-5,6-dihydrocyclopenta[b]pyridin-7-one
- CAS RN: 1150617-92-7
- Product Code: SSC-014787
-
![CAS 1150617-73-4 2-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150617-73-4.gif)
![CAS 1150617-92-7 2-chloro-5,6-dihydrocyclopenta[b]pyridin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150617-92-7.gif)
