CAS RN: 849062-38-0
4-(4′-CHLOROBENZYLOXY)-3,5-DIMETHYLPHEN&
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.20250529 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS849062-38-0
- Purity/Analytical Methods: >99.0%
849062-38-0 / [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
Basic Information
CAS
849062-38-0
Multi CAS
Yes
Molecular Formula
C15H16BCLO3
Molecular Weight
290.500000
Exact Mass
290.088102
InChI
InChI=1S/C15H16BClO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8,18-19H,9H2,1-2H3
InChIKey
MBKKDZFJTODELM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.53
TPSA
49.69
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.22
Consensus LogP
2.13
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.92
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
-
3-BROMO-2-(3′-FLUOROBENZYLOXY)-5-METHYL&
- CAS RN: 849062-40-4
- Product Code: starshine_CAS849062-40-4
- Purity/Analytical method: >99.0%
-
3-BROMO-2-(4′-FLUOROBENZYLOXY)-5-METHYL&
- CAS RN: 849062-41-5
- Product Code: starshine_CAS849062-41-5
- Purity/Analytical method: >99.0%
-
N-acetyl-2-carboxy Benzenesulfonamide
- CAS RN: 849067-18-1
- Product Code: starshine_CAS849067-18-1
- Purity/Analytical method: >99.0%
-
-
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 849067-96-5
- Product Code: SSC-192647
-
![CAS 849067-96-5 1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849067-96-5.gif)
![CAS 849067-97-6 (1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849067-97-6.gif)