CAS RN: 53731-26-3
1-(Difluoromethyl)naphthalene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260311 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-161132
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 | Hong Kong | Inquiry |
53731-26-3 / 1-(difluoromethyl)naphthalene
Basic Information
CAS
53731-26-3
Multi CAS
No
Molecular Formula
C11F2H8
Molecular Weight
178.180000
Exact Mass
178.059407
InChI
InChI=1S/C11H8F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKey
BVMYLIYGDBEEAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.91
TPSA
0.0000
LogP / Solubility
WLOGP
3.78
MLOGP
3.32
XLogP3
4.1
Consensus LogP
3.73
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
5-CHLORO-2-METHYLBENZAMIDE
- CAS RN: 53731-99-0
- Product Code: starshine_CAS53731-99-0
- Purity/Analytical method: >99.0%
-
-
Z-SAR-OSU
- CAS RN: 53733-96-3
- Product Code: starshine_CAS53733-96-3
- Purity/Analytical method: >99.0%
-
-
4-[(R)-4,8-Dihydro-5-methoxy-8,8-dimethyl-2H,3H-benzo[1,2-b:5,4-b’]dipyran-3-yl]-1,3-benzenediol
- CAS RN: 53734-74-0
- Product Code: starshine_CAS53734-74-0
- Purity/Analytical method: >99.0%
-
4-(5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b’]dipyran-3-yl)-1,3-benzenediol
- CAS RN: 53734-75-1
- Product Code: starshine_CAS53734-75-1
- Purity/Analytical method: >99.0%
![CAS 53734-74-0 4-[(R)-4,8-Dihydro-5-methoxy-8,8-dimethyl-2H,3H-benzo[1,2-b:5,4-b’]dipyran-3-yl]-1,3-benzenediol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53734-74-0.gif)
![CAS 53734-75-1 4-(5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b’]dipyran-3-yl)-1,3-benzenediol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53734-75-1.gif)