CAS RN: 1220188-40-8
2-Carboxyfuran-5-boronic acid,pinacol ester
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS1220188-40-8
- Purity/Analytical Methods: >99.0%
1220188-40-8 / 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylic acid
Basic Information
CAS
1220188-40-8
Multi CAS
No
Molecular Formula
C11H15BO5
Molecular Weight
238.050000
Exact Mass
238.101254
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C11H15BO5/c1-10(2)11(3,4)17-12(16-10)8-6-5-7(15-8)9(13)14/h5-6H,1-4H3,(H,13,14)
InChIKey
GQNVIDPLCCFIIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.38
TPSA
68.9
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-3.27
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
-
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- CAS RN: 1220219-11-3
- Product Code: SSC-024960
-
Benzonitrile, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoroMethyl)-
- CAS RN: 1220219-14-6
- Product Code: starshine_CAS1220219-14-6
- Purity/Analytical method: >99.0%
-
3-Cyano-4-methoxyphenylboronic acid pinacol ester
- CAS RN: 1220219-22-6
- Product Code: SSC-024962
-
(1-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)Methanol
- CAS RN: 1220219-36-2
- Product Code: SSC-024963
-
3,4-Difluoro-5-hydroxyphenylboronic acid, pinacol ester
- CAS RN: 1220219-43-1
- Product Code: starshine_CAS1220219-43-1
- Purity/Analytical method: >99.0%
-
3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
- CAS RN: 1220219-59-9
- Product Code: SSC-024964
![CAS 1220219-59-9 3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1220219-59-9.gif)