CAS RN: 380430-55-7
2-Amino-4-(methoxycarbonyl)phenylboronic Acid Hydrochloride (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-145514
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
380430-55-7 / (2-amino-4-methoxycarbonylphenyl)boronic acid;hydrochloride
Basic Information
CAS
380430-55-7
Multi CAS
Yes
Molecular Formula
C8H11BCLNO4
Molecular Weight
231.440000
Exact Mass
231.046966
InChI
InChI=1S/C8H10BNO4.ClH/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5;/h2-4,12-13H,10H2,1H3;1H
InChIKey
IDUSDMZTKZZVAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
59.27
TPSA
92.78
LogP / Solubility
WLOGP
-0.84
MLOGP
-0.74
XLogP3
-0.84
Consensus LogP
-0.81
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-Chloro-3-nitrophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 151169-67-4
- Product Code: SSC-061063
-
3-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 117342-20-8
- Product Code: SSC-017198
-
2-Chloro-5-fluorophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 444666-39-1
- Product Code: SSC-152483
-
2-Chloro-5-methylphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 193353-35-4
- Product Code: SSC-090738
-
5-Cyano-2-fluorophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 468718-30-1
- Product Code: SSC-154028
-
5-Fluoro-2-methylphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 163517-62-2
- Product Code: SSC-071032
