CAS RN: 2415163-54-9
INDEX NAME NOT YET ASSIGNED
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.20250211 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-117916
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2415163-54-9 / [5,7-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-4-yl]boronic acid
Basic Information
CAS
2415163-54-9
Multi CAS
No
Molecular Formula
C12H13BF2N2O4S
Molecular Weight
330.120000
Exact Mass
330.065715
SMILES
B(C1=C2C(=C(C=C1F)F)SC(=N2)NC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C12H13BF2N2O4S/c1-12(2,3)21-11(18)17-10-16-8-7(13(19)20)5(14)4-6(15)9(8)22-10/h4,19-20H,1-3H3,(H,16,17,18)
InChIKey
LDXHSMWGHDYXEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
79.22
TPSA
91.68
LogP / Solubility
WLOGP
1.6
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2415256-16-3
- Product Code: starshine_CAS2415256-16-3
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2415256-19-6
- Product Code: starshine_CAS2415256-19-6
- Purity/Analytical method: >99.0%
-
Thalidomide-O-amido-C8-NH2 hydrochloride
- CAS RN: 2415263-07-7
- Product Code: starshine_CAS2415263-07-7
- Purity/Analytical method: >99.0%
-
Spiro[9H-fluorene-9,2′-tricyclo[3.3.1.13,7]decane], 4-bromo-
- CAS RN: 2415337-01-6
- Product Code: starshine_CAS2415337-01-6
- Purity/Analytical method: >99.0%
-
(S)-tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
- CAS RN: 2415515-29-4
- Product Code: SSC-117943
![CAS 2415337-01-6 Spiro[9H-fluorene-9,2′-tricyclo[3.3.1.13,7]decane], 4-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2415337-01-6.gif)
