Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
89291-23-6 / [2-(dimethylamino)phenyl]boronic acid
Basic Information
CAS
89291-23-6
Multi CAS
No
Molecular Formula
BC8H12NO2
Molecular Weight
165.000000
Exact Mass
165.096109
InChI
InChI=1S/C8H12BNO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6,11-12H,1-2H3
InChIKey
NLTUDNKQUJVGKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.59
TPSA
43.7
LogP / Solubility
WLOGP
-0.57
MLOGP
-0.5
XLogP3
-0.57
Consensus LogP
-0.55
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 89291-75-8 (3aR,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3aR,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
- CAS RN: 89291-75-8
- Product Code: starshine_CAS89291-75-8
- Purity/Analytical method: >99.0%
-
-
5-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine
- CAS RN: 89292-91-1
- Product Code: starshine_CAS89292-91-1
- Purity/Analytical method: >99.0%
-
ALPHA-HYDROXY-BETA-OXALOSUCCINIC ACID TRISODIUM SALT
- CAS RN: 89304-26-7
- Product Code: starshine_CAS89304-26-7
- Purity/Analytical method: >99.0%
-
-
![CAS 89291-75-8 (3aR,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89291-75-8.gif)
