CAS RN: 121177-82-0
4-(Methylcarbamoyl)phenylboronic Acid (contains varying amounts of Anhydride)
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.20250415 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-022931
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 25g, 5g, 10g, 100g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >95% | 0 Out of Stock | Shanghai | Inquiry |
121177-82-0 / [4-(methylcarbamoyl)phenyl]boronic acid
4-(METHYLCARBAMOYL)BENZENEBORONIC ACID | RefChem:516347 | 691-949-5
Basic Information
CAS
121177-82-0
Multi CAS
Yes
Molecular Formula
C8H10BNO3
Molecular Weight
178.980000
Exact Mass
179.075373
SMILES
B(C1=CC=C(C=C1)C(=O)NC)(O)O
InChI
InChI=1S/C8H10BNO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey
UWKSYZHFTGONHY-UHFFFAOYSA-N
Synonyms
4-(METHYLCARBAMOYL)BENZENEBORONIC ACID
RefChem:516347
691-949-5
4-(N-Methylaminocarbonyl)phenylboronic acid
[4-(methylcarbamoyl)phenyl]boronic Acid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.66
TPSA
69.56
LogP / Solubility
WLOGP
-1.27
MLOGP
-1.12
XLogP3
-1.27
Consensus LogP
-1.22
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very 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)
-4.72
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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