![CAS 2170372-21-9 1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-21-9.png)
CAS RN: 2170372-21-9
1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol
- Product code: SSC-104489
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: >97%
- 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 | >97% | 0 Out of Stock | Hong Kong | Inquiry |
2170372-21-9 / [1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol
Basic Information
CAS
2170372-21-9
Multi CAS
No
Molecular Formula
C7H11IO2
Molecular Weight
254.070000
Exact Mass
253.980380
SMILES
C1C2(CC1(OC2)CI)CO
InChI
InChI=1S/C7H11IO2/c8-3-7-1-6(2-7,4-9)5-10-7/h9H,1-5H2
InChIKey
MTAPXLRGEUCTTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.32
TPSA
29.46
LogP / Solubility
WLOGP
0.96
MLOGP
0.85
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-3.59
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
-
![CAS 2170372-27-5 2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate
- CAS RN: 2170372-27-5
- Product Code: SSC-104491
-
benzyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
- CAS RN: 2170372-30-0
- Product Code: starshine_CAS2170372-30-0
- Purity/Analytical method: >99.0%
-
Glabralide B
- CAS RN: 2170388-84-6
- Product Code: starshine_CAS2170388-84-6
- Purity/Analytical method: >99.0%
-
Myricetin 3,7,3′-trimethyl ether 5′-O-glucoside
- CAS RN: 2170444-56-9
- Product Code: starshine_CAS2170444-56-9
- Purity/Analytical method: >99.0%
-
-
![CAS 2170372-27-5 2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-27-5.png)
![CAS 2170372-30-0 benzyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-30-0.png)
