![CAS 1266084-47-2 3,3-diMethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1266084-47-2.gif)
CAS RN: 1266084-47-2
3,3-diMethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol
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.20260314 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-033642
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 |
1266084-47-2 / 1-hydroxy-3,3-dimethyl-6-nitro-2,1-benzoxaborole
Basic Information
CAS
1266084-47-2
Multi CAS
No
Molecular Formula
C9H10BNO4
Molecular Weight
206.990000
Exact Mass
207.070288
SMILES
B1(C2=C(C=CC(=C2)[N+](=O)[O-])C(O1)(C)C)O
InChI
InChI=1S/C9H10BNO4/c1-9(2)7-4-3-6(11(13)14)5-8(7)10(12)15-9/h3-5,12H,1-2H3
InChIKey
MUNRAMHQIFHFBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.81
TPSA
72.6
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1266084-51-8 4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide(WXG02326) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide(WXG02326)
- CAS RN: 1266084-51-8
- Product Code: SSC-033643
-
-
3H-IMidazo[4,5-c]pyridine-7-carboxylic acid, ethyl ester
- CAS RN: 1266114-63-9
- Product Code: starshine_CAS1266114-63-9
- Purity/Analytical method: >99.0%
-
-
-
tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate
- CAS RN: 1266114-77-5
- Product Code: SSC-033651
![CAS 1266084-51-8 4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide(WXG02326) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1266084-51-8.gif)
![CAS 1266114-63-9 3H-IMidazo[4,5-c]pyridine-7-carboxylic acid, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1266114-63-9.gif)
![CAS 1266114-75-3 4-BroMo-1H-benzo[d]iMidazol-2-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1266114-75-3.gif)
