CAS RN: 2377606-26-1
6-(4-BOC-Piperazino)-2-methylpyridine-3-boronic acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS2377606-26-1
- Purity/Analytical Methods: >99.0%
2377606-26-1 / [2-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]boronic acid
Basic Information
CAS
2377606-26-1
Multi CAS
No
Molecular Formula
C15H24BN3O4
Molecular Weight
321.180000
Exact Mass
321.185986
SMILES
B(C1=C(N=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C)(O)O
InChI
InChI=1S/C15H24BN3O4/c1-11-12(16(21)22)5-6-13(17-11)18-7-9-19(10-8-18)14(20)23-15(2,3)4/h5-6,21-22H,7-10H2,1-4H3
InChIKey
CASSXLDWZZBIDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.82
TPSA
86.13
LogP / Solubility
WLOGP
0.13
MLOGP
0.13
XLogP3
0.13
Consensus LogP
0.13
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.59
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
-
![CAS 2377607-09-3 Methyl 2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamido}acetate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Methyl 2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamido}acetate
- CAS RN: 2377607-09-3
- Product Code: starshine_CAS2377607-09-3
- Purity/Analytical method: >99.0%
-
2-Carboxy-4-fluorophenylboronic acid pinacol ester
- CAS RN: 2377607-51-5
- Product Code: SSC-115674
-
-
6-Carboxy-2-naphthaleneboronicacid
- CAS RN: 2377607-93-5
- Product Code: starshine_CAS2377607-93-5
- Purity/Analytical method: >99.0%
-
3-(HydroxyMethyl)-5-Methylphenylboronic Acid Pinacol Ester
- CAS RN: 2377607-96-8
- Product Code: SSC-115676
-
3-Bromo-2-fluoro-4-methylphenylboronic acid
- CAS RN: 2377608-04-1
- Product Code: starshine_CAS2377608-04-1
- Purity/Analytical method: >99.0%
![CAS 2377607-09-3 Methyl 2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamido}acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377607-09-3.gif)
.gif)
