CAS RN: 936728-23-3
2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
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.20250805 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS936728-23-3
- Purity/Analytical Methods: >99.0%
936728-23-3 / 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Basic Information
CAS
936728-23-3
Multi CAS
No
Molecular Formula
BC14H19O5
Molecular Weight
278.110000
Exact Mass
278.132554
InChI
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(12(16)17)11(8-9)18-5/h6-8H,1-5H3,(H,16,17)
InChIKey
YTRKFPQHYQIWMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.67
TPSA
64.99
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.69
Consensus LogP
1.63
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-3.21
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
1.5
Customers Also Viewed
-
Cyclo(his-pro) (TFA)
- CAS RN: 936749-56-3
- Product Code: starshine_CAS936749-56-3
- Purity/Analytical method: >99.0%
-
-
Ethyl 5-([(Tert-Butoxy)Carbonyl]Amino)-6-Methylpyridine-3-Carboxylate
- CAS RN: 936801-42-2
- Product Code: starshine_CAS936801-42-2
- Purity/Analytical method: >99.0%
-
Phenol, 4,4′-[2-(4-bromophenyl)-2-phenylethenylidene]bis-
- CAS RN: 936803-69-9
- Product Code: starshine_CAS936803-69-9
- Purity/Analytical method: >99.0%
-
Carbamic acid, N-(4-methyl-2-benzothiazolyl)-, 1,1-dimethylethyl ester
- CAS RN: 936827-72-4
- Product Code: SSC-208056
-
![CAS 936801-42-2 Ethyl 5-([(Tert-Butoxy)Carbonyl]Amino)-6-Methylpyridine-3-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936801-42-2.gif)
![CAS 936803-69-9 Phenol, 4,4′-[2-(4-bromophenyl)-2-phenylethenylidene]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936803-69-9.gif)
