![CAS 476473-97-9 5-(chloromethyl)-2,2-difluorobenzo[d][1,3]dioxole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/476473-97-9.gif)
CAS RN: 476473-97-9
5-(chloromethyl)-2,2-difluorobenzo[d][1,3]dioxole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-154601
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 |
476473-97-9 / 5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole
Basic Information
CAS
476473-97-9
Multi CAS
No
Molecular Formula
C8H5CLF2O2
Molecular Weight
206.570000
Exact Mass
205.994613
InChI
InChI=1S/C8H5ClF2O2/c9-4-5-1-2-6-7(3-5)13-8(10,11)12-6/h1-3H,4H2
InChIKey
TWIROCHBZRSMEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.2
TPSA
18.46
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
3.1
Consensus LogP
2.76
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 476474-11-0 7-Quinolinol, 4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-Quinolinol, 4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-
- CAS RN: 476474-11-0
- Product Code: SSC-154602
-
-
Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
- CAS RN: 476617-49-9
- Product Code: starshine_CAS476617-49-9
- Purity/Analytical method: >99.0%
-
Bay 41-4109 (less active enantiomer)
- CAS RN: 476617-51-3
- Product Code: starshine_CAS476617-51-3
- Purity/Analytical method: >99.0%
-
4-Methylthiophene-3-boronic acid pinacol ester
- CAS RN: 476620-20-9
- Product Code: SSC-154618
-
![CAS 476474-11-0 7-Quinolinol, 4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/476474-11-0.gif)
