![CAS 849062-10-8 2-[(1,2,3,4-Tetrahydro-5-naphthyloxy)Methyl]phenylboronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/849062-10-8.png)
CAS RN: 849062-10-8
2-[(1,2,3,4-Tetrahydro-5-naphthyloxy)Methyl]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.20260620 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINT921597
849062-10-8 / [2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)phenyl]boronic acid
Basic Information
CAS
849062-10-8
Multi CAS
Yes
Molecular Formula
BC17H19O3
Molecular Weight
282.100000
Exact Mass
282.142725
InChI
InChI=1S/C17H19BO3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h2,4-5,7-8,10-11,19-20H,1,3,6,9,12H2
InChIKey
KTXSKKVFEAGKEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.68
TPSA
49.69
LogP / Solubility
WLOGP
1.82
MLOGP
1.62
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
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
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