CAS RN: 380430-54-6
2-AMINOCARBONYLPHENYLBORONIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-145513
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
380430-54-6 / (2-carbamoylphenyl)boronic acid
Basic Information
CAS
380430-54-6
Multi CAS
Yes
Molecular Formula
BC7H8NO3
Molecular Weight
164.960000
Exact Mass
165.059723
InChI
InChI=1S/C7H8BNO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H2,9,10)
InChIKey
LBWJTKOVBMVJJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.79
TPSA
83.55
LogP / Solubility
WLOGP
-1.53
MLOGP
-1.35
XLogP3
-1.53
Consensus LogP
-1.47
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
0.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82
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
-
3-AMINO-5-METHOXYCARBONYLPHENYLBORONIC ACID, HCL
- CAS RN: 380430-56-8
- Product Code: SSC-145515
-
-
[4-(E-3-METHOXY-3-OXO-1-PROPEN-1-YL)PHENYL]BORONIC ACID
- CAS RN: 380430-58-0
- Product Code: starshine_CAS380430-58-0
- Purity/Analytical method: >99.0%
-
2-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER
- CAS RN: 380430-60-4
- Product Code: SSC-145517
-
2-Acetylaminophenylboronic acid pinacol ester
- CAS RN: 380430-61-5
- Product Code: SSC-145518
-
(3-BENZYLOXYCARBONYL-5-NITROPHENYL)BORONIC ACID
- CAS RN: 380430-62-6
- Product Code: SSC-145519
![CAS 380430-58-0 [4-(E-3-METHOXY-3-OXO-1-PROPEN-1-YL)PHENYL]BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/380430-58-0.gif)
