CAS RN: 849062-26-6
3-Chloro-4-(3-chlorobenzyloxy)phenylboronic 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.20250103 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINC921608
849062-26-6 / [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid
Basic Information
CAS
849062-26-6
Multi CAS
No
Molecular Formula
C13H11BCL2O3
Molecular Weight
296.900000
Exact Mass
296.017830
InChI
InChI=1S/C13H11BCl2O3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7,17-18H,8H2
InChIKey
HGXKMYLFVPMNFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.06
TPSA
49.69
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 458532-90-6 3-Chloro-4-(4,4,5,5,-thtraMethyl-[1,3,2]dioxaborolan-2-yl)pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-Chloro-4-(4,4,5,5,-thtraMethyl-[1,3,2]dioxaborolan-2-yl)pyridine
- CAS RN: 458532-90-6
- Product Code: SSC-153464
-
-
-
-
3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one
- CAS RN: 536760-29-9
- Product Code: SSC-161049
-
![CAS 458532-90-6 3-Chloro-4-(4,4,5,5,-thtraMethyl-[1,3,2]dioxaborolan-2-yl)pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/458532-90-6.png)
