CAS RN: 874288-10-5
3-(3-CHLOROPROPYLCARBAMOYL)BENZENEBORONIC ACID
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.20250801 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS874288-10-5
- Purity/Analytical Methods: >99.0%
874288-10-5 / [3-(3-chloropropylcarbamoyl)phenyl]boronic acid
Basic Information
CAS
874288-10-5
Multi CAS
No
Molecular Formula
C10H13BCLNO3
Molecular Weight
241.480000
Exact Mass
241.067701
InChI
InChI=1S/C10H13BClNO3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,5-6H2,(H,13,14)
InChIKey
VTJIILRCPRVUHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
63.94
TPSA
69.56
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.27
Consensus LogP
-0.26
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-4.39
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
-
![CAS 874288-25-2 Boronic acid, B-[3-[[[(4-chlorophenyl)methyl]amino]carbonyl]phenyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Boronic acid, B-[3-[[[(4-chlorophenyl)methyl]amino]carbonyl]phenyl]-
- CAS RN: 874288-25-2
- Product Code: starshine_CAS874288-25-2
- Purity/Analytical method: >99.0%
-
Boronic acid, B-[3-[[[(2-chlorophenyl)methyl]amino]carbonyl]phenyl]-
- CAS RN: 874288-27-4
- Product Code: starshine_CAS874288-27-4
- Purity/Analytical method: >99.0%
-
3-[(4-Bromophenyl)carbamoyl]benzeneboronic acid
- CAS RN: 874288-28-5
- Product Code: starshine_CAS874288-28-5
- Purity/Analytical method: >99.0%
-
3-(3-FLUOROPHENYLCARBAMOYL)PHENYLBORONIC ACID
- CAS RN: 874288-34-3
- Product Code: SSC-197363
-
3-(2-FLUOROPHENYLCARBAMOYL)PHENYLBORONIC ACID
- CAS RN: 874288-35-4
- Product Code: starshine_CAS874288-35-4
- Purity/Analytical method: >99.0%
-
3-FLUORO-4-(PHENYLCARBAMOYL)BENZENEBORONIC ACID
- CAS RN: 874288-40-1
- Product Code: starshine_CAS874288-40-1
- Purity/Analytical method: >99.0%
![CAS 874288-25-2 Boronic acid, B-[3-[[[(4-chlorophenyl)methyl]amino]carbonyl]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874288-25-2.gif)
![CAS 874288-27-4 Boronic acid, B-[3-[[[(2-chlorophenyl)methyl]amino]carbonyl]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874288-27-4.gif)
![CAS 874288-28-5 3-[(4-Bromophenyl)carbamoyl]benzeneboronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874288-28-5.gif)
