CAS RN: 259209-22-8
2-HYDROXY-3-METHYLPHENYL BORONIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-122623
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
259209-22-8 / (2-hydroxy-3-methylphenyl)boronic acid
Basic Information
CAS
259209-22-8
Multi CAS
No
Molecular Formula
C7H9BO3
Molecular Weight
151.960000
Exact Mass
152.064474
SMILES
B(C1=C(C(=CC=C1)C)O)(O)O
InChI
InChI=1S/C7H9BO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9-11H,1H3
InChIKey
UQMOSSMYPIJNTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
42.67
TPSA
60.69
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.55
XLogP3
-0.62
Consensus LogP
-0.6
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Boronic acid, (3-fluoro-2-hydroxyphenyl)- (9CI)
- CAS RN: 259209-24-0
- Product Code: SSC-122624
-
Boronic acid, (2-hydroxy-4-Methylphenyl)- (9CI)
- CAS RN: 259209-25-1
- Product Code: SSC-122625
-
1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1S,2R)-
- CAS RN: 259214-55-6
- Product Code: SSC-122628
-
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, hydrochloride (1:1), (1R,2S)-
- CAS RN: 259214-56-7
- Product Code: starshine_CAS259214-56-7
- Purity/Analytical method: >99.0%
-
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, ethyl ester, (1R,2S)-
- CAS RN: 259217-95-3
- Product Code: SSC-122629
-
4-Bromo-N,N-bis(2-bromoethyl)benzenamine
- CAS RN: 259223-06-8
- Product Code: starshine_CAS259223-06-8
- Purity/Analytical method: >99.0%
![CAS 259214-55-6 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1S,2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/259214-55-6.gif)
![CAS 259217-95-3 Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, ethyl ester, (1R,2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/259217-95-3.gif)
