![CAS 2288708-53-0 methyl 3-(iodomethyl)bicyclo[1.1.1]pentane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB54893272.gif)
CAS RN: 2288708-53-0
methyl 3-(iodomethyl)bicyclo[1.1.1]pentane-1-carboxylate
- Product code: SSC-111390
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 | Shenzhen | Inquiry |
2288708-53-0 / methyl 3-(iodomethyl)bicyclo[1.1.1]pentane-1-carboxylate
Basic Information
CAS
2288708-53-0
Multi CAS
No
Molecular Formula
C8H11IO2
Molecular Weight
266.080000
Exact Mass
265.980380
SMILES
COC(=O)C12CC(C1)(C2)CI
InChI
InChI=1S/C8H11IO2/c1-11-6(10)8-2-7(3-8,4-8)5-9/h2-5H2,1H3
InChIKey
AUNVINHCEPHKLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.62
TPSA
26.3
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-3.09
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
3.5
Customers Also Viewed
-
2-(6-bromo-8-fluoro-3-quinolyl)ethoxy-tert-butyl-dimethyl-silane
- CAS RN: 2288708-54-1
- Product Code: SSC-111391
-
tert-Butyl 4-(1H-indazol-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate
- CAS RN: 2288708-62-1
- Product Code: starshine_CAS2288708-62-1
- Purity/Analytical method: >99.0%
-
1-Ethyl-7-phenyl-1,2,3,4-tetrahydroquinoline
- CAS RN: 2288708-68-7
- Product Code: starshine_CAS2288708-68-7
- Purity/Analytical method: >99.0%
-
4-(Bromomethyl)-2-methoxypyridine hydrobromide
- CAS RN: 2288708-87-0
- Product Code: SSC-111393
-
-
1-Ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
- CAS RN: 2288709-48-6
- Product Code: starshine_CAS2288709-48-6
- Purity/Analytical method: >99.0%
