CAS RN: 131838-19-2
Boronic acid, (5-bromo-1-naphthalenyl)- (9CI)
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.20250408 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS131838-19-2
- Purity/Analytical Methods: >99.0%
131838-19-2 / (5-bromonaphthalen-1-yl)boronic acid
Basic Information
CAS
131838-19-2
Multi CAS
No
Molecular Formula
C10H8BBrO2
Molecular Weight
250.890000
Exact Mass
249.980070
SMILES
B(C1=C2C=CC=C(C2=CC=C1)Br)(O)O
InChI
InChI=1S/C10H8BBrO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6,13-14H
InChIKey
FLHLQGCANXDHSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.47
TPSA
40.46
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.34
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
-
3-Isopropyl-d7-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
- CAS RN: 131842-77-8
- Product Code: starshine_CAS131842-77-8
- Purity/Analytical method: >99.0%
-
trans-2-(3-Chlorophenyl)cyclopropanamine Hydrochloride
- CAS RN: 131844-46-7
- Product Code: SSC-038941
-
Pyrido[1,2-a]indol-9(6H)-one, 7,8-dihydro-
- CAS RN: 131849-07-5
- Product Code: starshine_CAS131849-07-5
- Purity/Analytical method: >99.0%
-
-
(S)-3-AMINO-1-BENZYLPYRROLIDINE DIHYDROCHLORIDE
- CAS RN: 131852-54-5
- Product Code: SSC-038945
-
1-[[(6R,7R)-7-AMino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]Methyl]-1-MethylpyrrolidiniuM-d3 Chloride
- CAS RN: 131857-25-5
- Product Code: starshine_CAS131857-25-5
- Purity/Analytical method: >99.0%
![CAS 131849-07-5 Pyrido[1,2-a]indol-9(6H)-one, 7,8-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/131849-07-5.gif)
![CAS 131857-25-5 1-[[(6R,7R)-7-AMino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]Methyl]-1-MethylpyrrolidiniuM-d3 Chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82724614.gif)